1,1,2-trifluorocyclohexane

C6H9F3 — CID 14092088

IUPAC1,1,2-trifluorocyclohexane
SMILESFC1CCCCC1(F)F
InChIInChI=1S/C6H9F3/c7-5-3-1-2-4-6(5,8)9/h5H,1-4H2
InChIKeyFPPBYJBOHUMXJN-UHFFFAOYSA-N
MW138.13 g/mol
LogP2.53
Rot. Bonds

About 1,1,2-trifluorocyclohexane

1,1,2-trifluorocyclohexane (PubChem CID 14092088) has the molecular formula C6H9F3 and a molecular weight of 138.13 g/mol. Its IUPAC name is 1,1,2-trifluorocyclohexane.

Molecular Properties

Compound Name1,1,2-trifluorocyclohexane
PubChem CID14092088
Molecular FormulaC6H9F3
Molecular Weight138.13 g/mol
Exact Mass138.07
IUPAC Name1,1,2-trifluorocyclohexane
SMILESFC1CCCCC1(F)F
InChIInChI=1S/C6H9F3/c7-5-3-1-2-4-6(5,8)9/h5H,1-4H2
InChIKeyFPPBYJBOHUMXJN-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluorocyclohexane?
The IUPAC name of 1,1,2-trifluorocyclohexane (CID 14092088) is 1,1,2-trifluorocyclohexane.
What is the SMILES notation for 1,1,2-trifluorocyclohexane?
The canonical SMILES for 1,1,2-trifluorocyclohexane is FC1CCCCC1(F)F.
What is the InChIKey of 1,1,2-trifluorocyclohexane?
The InChIKey is FPPBYJBOHUMXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3/c7-5-3-1-2-4-6(5,8)9/h5H,1-4H2.
What are the key properties of 1,1,2-trifluorocyclohexane?
1,1,2-trifluorocyclohexane has a molecular weight of 138.13 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluorocyclohexane is sourced from PubChem (CID 14092088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).