trifluoromethylcyclohexane

C7H11F3 — CID 6432413

IUPACtrifluoromethylcyclohexane
SMILESFC(F)(F)C1CCCCC1
InChIInChI=1S/C7H11F3/c8-7(9,10)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyQXPZOKVSFMRGMQ-UHFFFAOYSA-N
MW152.16 g/mol
LogP3.13
Rot. Bonds

About trifluoromethylcyclohexane

trifluoromethylcyclohexane (PubChem CID 6432413) has the molecular formula C7H11F3 and a molecular weight of 152.16 g/mol. Its IUPAC name is trifluoromethylcyclohexane.

Molecular Properties

Compound Nametrifluoromethylcyclohexane
PubChem CID6432413
Molecular FormulaC7H11F3
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Nametrifluoromethylcyclohexane
SMILESFC(F)(F)C1CCCCC1
InChIInChI=1S/C7H11F3/c8-7(9,10)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyQXPZOKVSFMRGMQ-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trifluoromethylcyclohexane?
The IUPAC name of trifluoromethylcyclohexane (CID 6432413) is trifluoromethylcyclohexane.
What is the SMILES notation for trifluoromethylcyclohexane?
The canonical SMILES for trifluoromethylcyclohexane is FC(F)(F)C1CCCCC1.
What is the InChIKey of trifluoromethylcyclohexane?
The InChIKey is QXPZOKVSFMRGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3/c8-7(9,10)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of trifluoromethylcyclohexane?
trifluoromethylcyclohexane has a molecular weight of 152.16 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylcyclohexane is sourced from PubChem (CID 6432413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).