1-fluoro-5-(trifluoromethyl)cyclohexene

C7H8F4 — CID 22158878

IUPAC1-fluoro-5-(trifluoromethyl)cyclohexene
SMILESFC1=CCCC(C(F)(F)F)C1
InChIInChI=1S/C7H8F4/c8-6-3-1-2-5(4-6)7(9,10)11/h3,5H,1-2,4H2
InChIKeyALIHBFVGPRPYAD-UHFFFAOYSA-N
MW168.13 g/mol
LogP3.20
Rot. Bonds

About 1-fluoro-5-(trifluoromethyl)cyclohexene

1-fluoro-5-(trifluoromethyl)cyclohexene (PubChem CID 22158878) has the molecular formula C7H8F4 and a molecular weight of 168.13 g/mol. Its IUPAC name is 1-fluoro-5-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name1-fluoro-5-(trifluoromethyl)cyclohexene
PubChem CID22158878
Molecular FormulaC7H8F4
Molecular Weight168.13 g/mol
Exact Mass168.06
IUPAC Name1-fluoro-5-(trifluoromethyl)cyclohexene
SMILESFC1=CCCC(C(F)(F)F)C1
InChIInChI=1S/C7H8F4/c8-6-3-1-2-5(4-6)7(9,10)11/h3,5H,1-2,4H2
InChIKeyALIHBFVGPRPYAD-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(E)-3,3,3-Trifluoro-1-propenyl]cyclohexane
CID 10487552
3-(Trifluoromethyl)cyclohexene
CID 15104043
4,4,5-Trifluoro-5-trifluoromethylcyclohexene
CID 129766155
(3R)-3-(trifluoromethyl)cyclohexene
CID 155430875
(E)-1-Cyclohexyl-4,4,4-trifluoro-1-butene
CID 71814106
[(E)-2,3,3,3-tetrafluoroprop-1-enyl]cyclopentane
CID 11480825
3,3,4-Trifluoro-4-trifluoromethyl-cyclohexene
CID 129766094
[(E)-3,3-difluoroprop-1-enyl]cyclohexane
CID 134945748
1-Cyclohexyl-2,3,3,3-tetrafluoro-1-propene
CID 15497043
1-Fluoro-5-(1-fluoroethenyl)cyclohexene
CID 21678347
3-(1,1,1,3,3,3-Hexafluoropropan-2-yl)cyclohex-1-ene
CID 129319154
2,6-Bis(trifluoromethyl)bicyclo[3.3.1]nona-2,6-diene
CID 132648343

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-(trifluoromethyl)cyclohexene?
The IUPAC name of 1-fluoro-5-(trifluoromethyl)cyclohexene (CID 22158878) is 1-fluoro-5-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 1-fluoro-5-(trifluoromethyl)cyclohexene?
The canonical SMILES for 1-fluoro-5-(trifluoromethyl)cyclohexene is FC1=CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-fluoro-5-(trifluoromethyl)cyclohexene?
The InChIKey is ALIHBFVGPRPYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4/c8-6-3-1-2-5(4-6)7(9,10)11/h3,5H,1-2,4H2.
What are the key properties of 1-fluoro-5-(trifluoromethyl)cyclohexene?
1-fluoro-5-(trifluoromethyl)cyclohexene has a molecular weight of 168.13 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 22158878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).