2,3,4,5,6,7-hexafluoroheptyl 2-methylprop-2-enoate

C11H14F6O2 — CID 174639375

IUPAC2,3,4,5,6,7-hexafluoroheptyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)C(F)C(F)C(F)C(F)CF
InChIInChI=1S/C11H14F6O2/c1-5(2)11(18)19-4-7(14)9(16)10(17)8(15)6(13)3-12/h6-10H,1,3-4H2,2H3
InChIKeyOYDMNARWVROVSW-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.77
Rot. Bonds8

About 2,3,4,5,6,7-hexafluoroheptyl 2-methylprop-2-enoate

2,3,4,5,6,7-hexafluoroheptyl 2-methylprop-2-enoate (PubChem CID 174639375) has the molecular formula C11H14F6O2 and a molecular weight of 292.22 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexafluoroheptyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,3,4,5,6,7-hexafluoroheptyl 2-methylprop-2-enoate
PubChem CID174639375
Molecular FormulaC11H14F6O2
Molecular Weight292.22 g/mol
Exact Mass292.09
IUPAC Name2,3,4,5,6,7-hexafluoroheptyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)C(F)C(F)C(F)C(F)CF
InChIInChI=1S/C11H14F6O2/c1-5(2)11(18)19-4-7(14)9(16)10(17)8(15)6(13)3-12/h6-10H,1,3-4H2,2H3
InChIKeyOYDMNARWVROVSW-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2,3,4,5,6,7-hexafluoroheptyl 2-methylprop-2-enoate 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

2,3,4,4-tetrafluorobutyl 2-methylprop-2-enoate
CID 87071251
2-(2,3,4,5,6-pentafluorophenyl)propyl 2-methylprop-2-enoate
CID 88744529
[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate
CID 58701380
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
CID 24812035
2,3-dihydroxybutyl 2-methylprop-2-enoate
CID 22149440
[amino-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]sulfanylmethylidene]azanium
CID 20727766
[2-(dimethylamino)-3-fluorobut-3-enyl] 2-methylprop-2-enoate
CID 175067527
[2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 19428958
2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87196210
[3-hydroxy-2-methyl-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428941

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexafluoroheptyl 2-methylprop-2-enoate?
The IUPAC name of 2,3,4,5,6,7-hexafluoroheptyl 2-methylprop-2-enoate (CID 174639375) is 2,3,4,5,6,7-hexafluoroheptyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,3,4,5,6,7-hexafluoroheptyl 2-methylprop-2-enoate?
The canonical SMILES for 2,3,4,5,6,7-hexafluoroheptyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(F)C(F)C(F)C(F)C(F)CF.
What is the InChIKey of 2,3,4,5,6,7-hexafluoroheptyl 2-methylprop-2-enoate?
The InChIKey is OYDMNARWVROVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6O2/c1-5(2)11(18)19-4-7(14)9(16)10(17)8(15)6(13)3-12/h6-10H,1,3-4H2,2H3.
What are the key properties of 2,3,4,5,6,7-hexafluoroheptyl 2-methylprop-2-enoate?
2,3,4,5,6,7-hexafluoroheptyl 2-methylprop-2-enoate has a molecular weight of 292.22 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexafluoroheptyl 2-methylprop-2-enoate is sourced from PubChem (CID 174639375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).