[2-fluoro-2-(1,2,2-trifluoroethyl)pentyl] 2-methylprop-2-enoate

C11H16F4O2 — CID 18625086

IUPAC[2-fluoro-2-(1,2,2-trifluoroethyl)pentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)(CCC)C(F)C(F)F
InChIInChI=1S/C11H16F4O2/c1-4-5-11(15,8(12)9(13)14)6-17-10(16)7(2)3/h8-9H,2,4-6H2,1,3H3
InChIKeyFDAXXQCPSCYEBA-UHFFFAOYSA-N
MW256.24 g/mol
LogP3.22
Rot. Bonds7

About [2-fluoro-2-(1,2,2-trifluoroethyl)pentyl] 2-methylprop-2-enoate

[2-fluoro-2-(1,2,2-trifluoroethyl)pentyl] 2-methylprop-2-enoate (PubChem CID 18625086) has the molecular formula C11H16F4O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is [2-fluoro-2-(1,2,2-trifluoroethyl)pentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-fluoro-2-(1,2,2-trifluoroethyl)pentyl] 2-methylprop-2-enoate
PubChem CID18625086
Molecular FormulaC11H16F4O2
Molecular Weight256.24 g/mol
Exact Mass256.11
IUPAC Name[2-fluoro-2-(1,2,2-trifluoroethyl)pentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)(CCC)C(F)C(F)F
InChIInChI=1S/C11H16F4O2/c1-4-5-11(15,8(12)9(13)14)6-17-10(16)7(2)3/h8-9H,2,4-6H2,1,3H3
InChIKeyFDAXXQCPSCYEBA-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
3,3-dimethylhexyl 2-methylprop-2-enoate
CID 59157270
[2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate
CID 87083622
[2-hydroxy-2-(1,2,2,2-tetrafluoroethoxy)propyl] 2-methylprop-2-enoate
CID 91567878
[2-isocyanato-2-(2-methylprop-2-enoyloxymethyl)pentyl] 2-methylprop-2-enoate
CID 87467575
2,2,2-trihydroxyethyl 2-methylprop-2-enoate
CID 87642108
2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate
CID 141014982
[2,2-dimethyl-3-[2-methyl-2-(2-methylprop-2-enoyloxymethyl)pentoxy]propyl] 2-methylprop-2-enoate
CID 129094110
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149
(6,6,6-trifluoro-2-hydroxy-2,5-dimethylhexyl) 2-methylprop-2-enoate
CID 175062743
(2-butyl-2-formylhexyl) 2-methylprop-2-enoate
CID 139810612
(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-prop-1-en-2-yloxydodecyl) 2-methylprop-2-enoate
CID 138628171

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-2-(1,2,2-trifluoroethyl)pentyl] 2-methylprop-2-enoate?
The IUPAC name of [2-fluoro-2-(1,2,2-trifluoroethyl)pentyl] 2-methylprop-2-enoate (CID 18625086) is [2-fluoro-2-(1,2,2-trifluoroethyl)pentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-fluoro-2-(1,2,2-trifluoroethyl)pentyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-fluoro-2-(1,2,2-trifluoroethyl)pentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(F)(CCC)C(F)C(F)F.
What is the InChIKey of [2-fluoro-2-(1,2,2-trifluoroethyl)pentyl] 2-methylprop-2-enoate?
The InChIKey is FDAXXQCPSCYEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F4O2/c1-4-5-11(15,8(12)9(13)14)6-17-10(16)7(2)3/h8-9H,2,4-6H2,1,3H3.
What are the key properties of [2-fluoro-2-(1,2,2-trifluoroethyl)pentyl] 2-methylprop-2-enoate?
[2-fluoro-2-(1,2,2-trifluoroethyl)pentyl] 2-methylprop-2-enoate has a molecular weight of 256.24 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-2-(1,2,2-trifluoroethyl)pentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 18625086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).