1,2,3,3-tetrafluoro-4-methylcyclohexene

C7H8F4 — CID 70501114

IUPAC1,2,3,3-tetrafluoro-4-methylcyclohexene
SMILESCC1CCC(F)=C(F)C1(F)F
InChIInChI=1S/C7H8F4/c1-4-2-3-5(8)6(9)7(4,10)11/h4H,2-3H2,1H3
InChIKeyHJJFJWUHKFCYRK-UHFFFAOYSA-N
MW168.13 g/mol
LogP3.20
Rot. Bonds

About 1,2,3,3-tetrafluoro-4-methylcyclohexene

1,2,3,3-tetrafluoro-4-methylcyclohexene (PubChem CID 70501114) has the molecular formula C7H8F4 and a molecular weight of 168.13 g/mol. Its IUPAC name is 1,2,3,3-tetrafluoro-4-methylcyclohexene.

Molecular Properties

Compound Name1,2,3,3-tetrafluoro-4-methylcyclohexene
PubChem CID70501114
Molecular FormulaC7H8F4
Molecular Weight168.13 g/mol
Exact Mass168.06
IUPAC Name1,2,3,3-tetrafluoro-4-methylcyclohexene
SMILESCC1CCC(F)=C(F)C1(F)F
InChIInChI=1S/C7H8F4/c1-4-2-3-5(8)6(9)7(4,10)11/h4H,2-3H2,1H3
InChIKeyHJJFJWUHKFCYRK-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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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3-tetrafluoro-4-methylcyclohexene?
The IUPAC name of 1,2,3,3-tetrafluoro-4-methylcyclohexene (CID 70501114) is 1,2,3,3-tetrafluoro-4-methylcyclohexene.
What is the SMILES notation for 1,2,3,3-tetrafluoro-4-methylcyclohexene?
The canonical SMILES for 1,2,3,3-tetrafluoro-4-methylcyclohexene is CC1CCC(F)=C(F)C1(F)F.
What is the InChIKey of 1,2,3,3-tetrafluoro-4-methylcyclohexene?
The InChIKey is HJJFJWUHKFCYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4/c1-4-2-3-5(8)6(9)7(4,10)11/h4H,2-3H2,1H3.
What are the key properties of 1,2,3,3-tetrafluoro-4-methylcyclohexene?
1,2,3,3-tetrafluoro-4-methylcyclohexene 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 1,2,3,3-tetrafluoro-4-methylcyclohexene is sourced from PubChem (CID 70501114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).