3-(1,1-difluoroethyl)-1,1-difluoro-2-(trifluoromethyl)hept-1-ene

C10H13F7 — CID 15489698

IUPAC3-(1,1-difluoroethyl)-1,1-difluoro-2-(trifluoromethyl)hept-1-ene
SMILESCCCCC(C(=C(F)F)C(F)(F)F)C(C)(F)F
InChIInChI=1S/C10H13F7/c1-3-4-5-6(9(2,13)14)7(8(11)12)10(15,16)17/h6H,3-5H2,1-2H3
InChIKeyJTVNHRJDCNBUML-UHFFFAOYSA-N
MW266.20 g/mol
LogP5.16
Rot. Bonds5

About 3-(1,1-difluoroethyl)-1,1-difluoro-2-(trifluoromethyl)hept-1-ene

3-(1,1-difluoroethyl)-1,1-difluoro-2-(trifluoromethyl)hept-1-ene (PubChem CID 15489698) has the molecular formula C10H13F7 and a molecular weight of 266.20 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1,1-difluoro-2-(trifluoromethyl)hept-1-ene.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1,1-difluoro-2-(trifluoromethyl)hept-1-ene
PubChem CID15489698
Molecular FormulaC10H13F7
Molecular Weight266.20 g/mol
Exact Mass266.09
IUPAC Name3-(1,1-difluoroethyl)-1,1-difluoro-2-(trifluoromethyl)hept-1-ene
SMILESCCCCC(C(=C(F)F)C(F)(F)F)C(C)(F)F
InChIInChI=1S/C10H13F7/c1-3-4-5-6(9(2,13)14)7(8(11)12)10(15,16)17/h6H,3-5H2,1-2H3
InChIKeyJTVNHRJDCNBUML-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.20
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,3,3-Tetrafluoro-2-(trifluoromethyl)hept-1-ene
CID 23264460
1-Fluoro-4-(1,2,2-trifluoroethenyl)cyclohexane
CID 19961274
4-(Difluoromethylidene)-5-ethyl-1,1,1,2,2,3-hexafluoro-3,5-dimethylheptane
CID 20384746
1-(Difluoromethylidene)-4-methylcyclohexane
CID 20612495
1,1,3,4,4,5,6,6,6-Nonafluoro-2,3,5-trimethylhex-1-ene
CID 22016472
3-Fluoro-3-propan-2-yl-2,4-bis(trifluoromethyl)penta-1,4-diene
CID 23042181
1,1-Difluoro-2-methyl-3-(trifluoromethyl)pent-1-ene
CID 58864057
1,1,1,2,6,7,7,7-Octafluoro-4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)heptane
CID 58915583
(1,1,3,3,3-Pentafluoroprop-1-en-2-yl)cyclohexane
CID 58999458
[3,3-Difluoro-2-(trifluoromethyl)prop-2-enyl]cyclobutane
CID 58999459
1,1,3,3,3-Pentafluoroprop-1-en-2-ylcyclopentane
CID 58999460
[3,3-Difluoro-2-(trifluoromethyl)prop-2-enyl]cyclohexane
CID 58999462

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1,1-difluoro-2-(trifluoromethyl)hept-1-ene?
The IUPAC name of 3-(1,1-difluoroethyl)-1,1-difluoro-2-(trifluoromethyl)hept-1-ene (CID 15489698) is 3-(1,1-difluoroethyl)-1,1-difluoro-2-(trifluoromethyl)hept-1-ene.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1,1-difluoro-2-(trifluoromethyl)hept-1-ene?
The canonical SMILES for 3-(1,1-difluoroethyl)-1,1-difluoro-2-(trifluoromethyl)hept-1-ene is CCCCC(C(=C(F)F)C(F)(F)F)C(C)(F)F.
What is the InChIKey of 3-(1,1-difluoroethyl)-1,1-difluoro-2-(trifluoromethyl)hept-1-ene?
The InChIKey is JTVNHRJDCNBUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F7/c1-3-4-5-6(9(2,13)14)7(8(11)12)10(15,16)17/h6H,3-5H2,1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-1,1-difluoro-2-(trifluoromethyl)hept-1-ene?
3-(1,1-difluoroethyl)-1,1-difluoro-2-(trifluoromethyl)hept-1-ene has a molecular weight of 266.20 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1,1-difluoro-2-(trifluoromethyl)hept-1-ene is sourced from PubChem (CID 15489698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).