1-cyclopentyl-4-(trifluoromethyl)cyclohexane

C12H19F3 — CID 70984825

IUPAC1-cyclopentyl-4-(trifluoromethyl)cyclohexane
SMILESFC(F)(F)C1CCC(C2CCCC2)CC1
InChIInChI=1S/C12H19F3/c13-12(14,15)11-7-5-10(6-8-11)9-3-1-2-4-9/h9-11H,1-8H2
InChIKeyVHMLVVYXWAXVLF-UHFFFAOYSA-N
MW220.28 g/mol
LogP4.55
Rot. Bonds1

About 1-cyclopentyl-4-(trifluoromethyl)cyclohexane

1-cyclopentyl-4-(trifluoromethyl)cyclohexane (PubChem CID 70984825) has the molecular formula C12H19F3 and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-cyclopentyl-4-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-cyclopentyl-4-(trifluoromethyl)cyclohexane
PubChem CID70984825
Molecular FormulaC12H19F3
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name1-cyclopentyl-4-(trifluoromethyl)cyclohexane
SMILESFC(F)(F)C1CCC(C2CCCC2)CC1
InChIInChI=1S/C12H19F3/c13-12(14,15)11-7-5-10(6-8-11)9-3-1-2-4-9/h9-11H,1-8H2
InChIKeyVHMLVVYXWAXVLF-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-cyclopentyl-4-(trifluoromethyl)cyclohexane (CID 70984825) is 1-cyclopentyl-4-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-cyclopentyl-4-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-cyclopentyl-4-(trifluoromethyl)cyclohexane is FC(F)(F)C1CCC(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-(trifluoromethyl)cyclohexane?
The InChIKey is VHMLVVYXWAXVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3/c13-12(14,15)11-7-5-10(6-8-11)9-3-1-2-4-9/h9-11H,1-8H2.
What are the key properties of 1-cyclopentyl-4-(trifluoromethyl)cyclohexane?
1-cyclopentyl-4-(trifluoromethyl)cyclohexane has a molecular weight of 220.28 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 70984825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).