1,1-difluoro-2-(trifluoromethyl)hex-1-ene

C7H9F5 — CID 57157979

IUPAC1,1-difluoro-2-(trifluoromethyl)hex-1-ene
SMILESCCCCC(=C(F)F)C(F)(F)F
InChIInChI=1S/C7H9F5/c1-2-3-4-5(6(8)9)7(10,11)12/h2-4H2,1H3
InChIKeyAMOATRSOEYDWBR-UHFFFAOYSA-N
MW188.14 g/mol
LogP3.89
Rot. Bonds3

About 1,1-difluoro-2-(trifluoromethyl)hex-1-ene

1,1-difluoro-2-(trifluoromethyl)hex-1-ene (PubChem CID 57157979) has the molecular formula C7H9F5 and a molecular weight of 188.14 g/mol. Its IUPAC name is 1,1-difluoro-2-(trifluoromethyl)hex-1-ene.

Molecular Properties

Compound Name1,1-difluoro-2-(trifluoromethyl)hex-1-ene
PubChem CID57157979
Molecular FormulaC7H9F5
Molecular Weight188.14 g/mol
Exact Mass188.06
IUPAC Name1,1-difluoro-2-(trifluoromethyl)hex-1-ene
SMILESCCCCC(=C(F)F)C(F)(F)F
InChIInChI=1S/C7H9F5/c1-2-3-4-5(6(8)9)7(10,11)12/h2-4H2,1H3
InChIKeyAMOATRSOEYDWBR-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.14
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Hexofluoropropylene
CID 129703938
1,1,1,2,3,3-Hexafluoro-5-methylhexene-5
CID 12562976
1,1,3,3-Tetrafluoro-2-(trifluoromethyl)hept-1-ene
CID 23264460
1,1,4,4,5,5,5-Heptafluoro-2-methylpent-1-ene
CID 23266238
1,1-Difluoro-2-methylhex-1-ene
CID 11542791
1,1-Difluoro-2-methylpent-1-ene
CID 11550006
6,6,6-Trifluoro-2-methylhex-1-ene
CID 13379969
3-(Difluoromethylidene)pentane
CID 15761369
1,1,3,3,4,4,5,5,5-Nonafluoro-2-methylpent-1-ene
CID 19424809
1,1,3,3-Tetrafluoro-2-(trifluoromethyl)pent-1-ene
CID 19788864
1,1,3,3-Tetrafluoro-2-(trifluoromethyl)hex-1-ene
CID 19788876
1,1,3,3,4,4-Hexafluoro-2-(trifluoromethyl)pent-1-ene
CID 19788882

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-(trifluoromethyl)hex-1-ene?
The IUPAC name of 1,1-difluoro-2-(trifluoromethyl)hex-1-ene (CID 57157979) is 1,1-difluoro-2-(trifluoromethyl)hex-1-ene.
What is the SMILES notation for 1,1-difluoro-2-(trifluoromethyl)hex-1-ene?
The canonical SMILES for 1,1-difluoro-2-(trifluoromethyl)hex-1-ene is CCCCC(=C(F)F)C(F)(F)F.
What is the InChIKey of 1,1-difluoro-2-(trifluoromethyl)hex-1-ene?
The InChIKey is AMOATRSOEYDWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F5/c1-2-3-4-5(6(8)9)7(10,11)12/h2-4H2,1H3.
What are the key properties of 1,1-difluoro-2-(trifluoromethyl)hex-1-ene?
1,1-difluoro-2-(trifluoromethyl)hex-1-ene has a molecular weight of 188.14 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-(trifluoromethyl)hex-1-ene is sourced from PubChem (CID 57157979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).