2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;bis([3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxymethyl prop-2-enoate);[2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxy]-2-oxoethyl] prop-2-enoate;methane

C103H98F28N4O19 — CID 157489413

IUPAC2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;bis([3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxymethyl prop-2-enoate);[2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxy]-2-oxoethyl] prop-2-enoate;methane
SMILESC.C.C.C.C.C.C=CC(=O)OCC(=O)OCC1c2ccccc2-c2cc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)ccc21.C=CC(=O)OCCOC(=O)OCC1c2ccccc2-c2cc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)ccc21.C=CC(=O)OCOC(=O)OCC1c2ccccc2-c2cc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)ccc21.C=CC(=O)OCOC(=O)OCC1c2ccccc2-c2cc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)ccc21
InChIInChI=1S/C25H20F7NO5.2C24H18F7NO5.C24H18F7NO4.6CH4/c1-3-20(34)36-10-11-37-22(35)38-13-19-16-7-5-4-6-15(16)18-12-14(8-9-17(18)19)21(33-2)23(26,27)24(28,29)25(30,31)32;2*1-3-19(33)36-12-37-21(34)35-11-18-15-7-5-4-6-14(15)17-10-13(8-9-16(17)18)20(32-2)22(25,26)23(27,28)24(29,30)31;1-3-19(33)36-12-20(34)35-11-18-15-7-5-4-6-14(15)17-10-13(8-9-16(17)18)21(32-2)22(25,26)23(27,28)24(29,30)31;;;;;;/h3-9,12,19H,1,10-11,13H2,2H3;2*3-10,18H,1,11-12H2,2H3;3-10,18H,1,11-12H2,2H3;6*1H4/b33-21+;2*32-20+;32-21+;;;;;;
InChIKeyBXCCEPCBUNVLGJ-NDWSRMRZSA-N
MW2227.87 g/mol
LogP26.85
Rot. Bonds33

About 2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;bis([3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxymethyl prop-2-enoate);[2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxy]-2-oxoethyl] prop-2-enoate;methane

2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;bis([3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxymethyl prop-2-enoate);[2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxy]-2-oxoethyl] prop-2-enoate;methane (PubChem CID 157489413) has the molecular formula C103H98F28N4O19 and a molecular weight of 2227.87 g/mol. Its IUPAC name is 2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;bis([3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxymethyl prop-2-enoate);[2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxy]-2-oxoethyl] prop-2-enoate;methane.

Molecular Properties

Compound Name2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;bis([3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxymethyl prop-2-enoate);[2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxy]-2-oxoethyl] prop-2-enoate;methane
PubChem CID157489413
Molecular FormulaC103H98F28N4O19
Molecular Weight2227.87 g/mol
Exact Mass2226.64
IUPAC Name2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;bis([3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxymethyl prop-2-enoate);[2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxy]-2-oxoethyl] prop-2-enoate;methane
SMILESC.C.C.C.C.C.C=CC(=O)OCC(=O)OCC1c2ccccc2-c2cc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)ccc21.C=CC(=O)OCCOC(=O)OCC1c2ccccc2-c2cc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)ccc21.C=CC(=O)OCOC(=O)OCC1c2ccccc2-c2cc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)ccc21.C=CC(=O)OCOC(=O)OCC1c2ccccc2-c2cc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)ccc21
InChIInChI=1S/C25H20F7NO5.2C24H18F7NO5.C24H18F7NO4.6CH4/c1-3-20(34)36-10-11-37-22(35)38-13-19-16-7-5-4-6-15(16)18-12-14(8-9-17(18)19)21(33-2)23(26,27)24(28,29)25(30,31)32;2*1-3-19(33)36-12-37-21(34)35-11-18-15-7-5-4-6-14(15)17-10-13(8-9-16(17)18)20(32-2)22(25,26)23(27,28)24(29,30)31;1-3-19(33)36-12-20(34)35-11-18-15-7-5-4-6-14(15)17-10-13(8-9-16(17)18)21(32-2)22(25,26)23(27,28)24(29,30)31;;;;;;/h3-9,12,19H,1,10-11,13H2,2H3;2*3-10,18H,1,11-12H2,2H3;3-10,18H,1,11-12H2,2H3;6*1H4/b33-21+;2*32-20+;32-21+;;;;;;
InChIKeyBXCCEPCBUNVLGJ-NDWSRMRZSA-N
XLogP26.85
TPSA287.53 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds33
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002227.87
LogP ≤ 526.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;bis([3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxymethyl prop-2-enoate);[2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxy]-2-oxoethyl] prop-2-enoate;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl 2-methyl-4-prop-2-enoyloxybutanoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl prop-2-enoate
CID 160564456
[4-[4-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]phenyl]phenyl]methyl prop-2-enoate
CID 88575289
9H-fluoren-9-ylmethyl 2-formyloxyacetate
CID 54320738
butyl 9H-fluoren-9-ylmethyl carbonate
CID 114289496
[2-oxo-2-[(E)-(2,2,2-trifluoro-1-phenylethylidene)amino]oxyethyl] prop-2-enoate
CID 58070606
(9H-fluoren-9-ylmethoxycarbonylamino)methyl prop-2-enoate
CID 169286639
4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate
CID 6612799
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
cyclopentyl [4-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]phenyl] carbonate
CID 88575293
(2R)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-propan-2-ylbutanoic acid
CID 159963663
2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobut-2-enoic acid
CID 164579750

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;bis([3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxymethyl prop-2-enoate);[2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxy]-2-oxoethyl] prop-2-enoate;methane?
The IUPAC name of 2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;bis([3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxymethyl prop-2-enoate);[2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxy]-2-oxoethyl] prop-2-enoate;methane (CID 157489413) is 2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;bis([3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxymethyl prop-2-enoate);[2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxy]-2-oxoethyl] prop-2-enoate;methane.
What is the SMILES notation for 2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;bis([3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxymethyl prop-2-enoate);[2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxy]-2-oxoethyl] prop-2-enoate;methane?
The canonical SMILES for 2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;bis([3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxymethyl prop-2-enoate);[2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxy]-2-oxoethyl] prop-2-enoate;methane is C.C.C.C.C.C.C=CC(=O)OCC(=O)OCC1c2ccccc2-c2cc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)ccc21.C=CC(=O)OCCOC(=O)OCC1c2ccccc2-c2cc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)ccc21.C=CC(=O)OCOC(=O)OCC1c2ccccc2-c2cc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)ccc21.C=CC(=O)OCOC(=O)OCC1c2ccccc2-c2cc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)ccc21.
What is the InChIKey of 2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;bis([3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxymethyl prop-2-enoate);[2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxy]-2-oxoethyl] prop-2-enoate;methane?
The InChIKey is BXCCEPCBUNVLGJ-NDWSRMRZSA-N. The full InChI is InChI=1S/C25H20F7NO5.2C24H18F7NO5.C24H18F7NO4.6CH4/c1-3-20(34)36-10-11-37-22(35)38-13-19-16-7-5-4-6-15(16)18-12-14(8-9-17(18)19)21(33-2)23(26,27)24(28,29)25(30,31)32;2*1-3-19(33)36-12-37-21(34)35-11-18-15-7-5-4-6-14(15)17-10-13(8-9-16(17)18)20(32-2)22(25,26)23(27,28)24(29,30)31;1-3-19(33)36-12-20(34)35-11-18-15-7-5-4-6-14(15)17-10-13(8-9-16(17)18)21(32-2)22(25,26)23(27,28)24(29,30)31;;;;;;/h3-9,12,19H,1,10-11,13H2,2H3;2*3-10,18H,1,11-12H2,2H3;3-10,18H,1,11-12H2,2H3;6*1H4/b33-21+;2*32-20+;32-21+;;;;;;.
What are the key properties of 2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;bis([3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxymethyl prop-2-enoate);[2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxy]-2-oxoethyl] prop-2-enoate;methane?
2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;bis([3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxymethyl prop-2-enoate);[2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxy]-2-oxoethyl] prop-2-enoate;methane has a molecular weight of 2227.87 g/mol, XLogP of 26.85, 33 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;bis([3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxymethyl prop-2-enoate);[2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxy]-2-oxoethyl] prop-2-enoate;methane is sourced from PubChem (CID 157489413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).