1-fluoro-2-(trifluoromethyl)cyclohexene

C7H8F4 — CID 18960116

IUPAC1-fluoro-2-(trifluoromethyl)cyclohexene
SMILESFC1=C(C(F)(F)F)CCCC1
InChIInChI=1S/C7H8F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H2
InChIKeyVDZKCNZQAIIYGT-UHFFFAOYSA-N
MW168.13 g/mol
LogP3.35
Rot. Bonds

About 1-fluoro-2-(trifluoromethyl)cyclohexene

1-fluoro-2-(trifluoromethyl)cyclohexene (PubChem CID 18960116) has the molecular formula C7H8F4 and a molecular weight of 168.13 g/mol. Its IUPAC name is 1-fluoro-2-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name1-fluoro-2-(trifluoromethyl)cyclohexene
PubChem CID18960116
Molecular FormulaC7H8F4
Molecular Weight168.13 g/mol
Exact Mass168.06
IUPAC Name1-fluoro-2-(trifluoromethyl)cyclohexene
SMILESFC1=C(C(F)(F)F)CCCC1
InChIInChI=1S/C7H8F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H2
InChIKeyVDZKCNZQAIIYGT-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(trifluoromethyl)cyclohexene?
The IUPAC name of 1-fluoro-2-(trifluoromethyl)cyclohexene (CID 18960116) is 1-fluoro-2-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 1-fluoro-2-(trifluoromethyl)cyclohexene?
The canonical SMILES for 1-fluoro-2-(trifluoromethyl)cyclohexene is FC1=C(C(F)(F)F)CCCC1.
What is the InChIKey of 1-fluoro-2-(trifluoromethyl)cyclohexene?
The InChIKey is VDZKCNZQAIIYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H2.
What are the key properties of 1-fluoro-2-(trifluoromethyl)cyclohexene?
1-fluoro-2-(trifluoromethyl)cyclohexene has a molecular weight of 168.13 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 18960116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).