1-(4-methylpentyl)-1-(trifluoromethyl)cyclopentane

C12H21F3 — CID 146488466

IUPAC1-(4-methylpentyl)-1-(trifluoromethyl)cyclopentane
SMILESCC(C)CCCC1(C(F)(F)F)CCCC1
InChIInChI=1S/C12H21F3/c1-10(2)6-5-9-11(12(13,14)15)7-3-4-8-11/h10H,3-9H2,1-2H3
InChIKeyKKCCUMXNCVDKTO-UHFFFAOYSA-N
MW222.29 g/mol
LogP4.94
Rot. Bonds4

About 1-(4-methylpentyl)-1-(trifluoromethyl)cyclopentane

1-(4-methylpentyl)-1-(trifluoromethyl)cyclopentane (PubChem CID 146488466) has the molecular formula C12H21F3 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(4-methylpentyl)-1-(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name1-(4-methylpentyl)-1-(trifluoromethyl)cyclopentane
PubChem CID146488466
Molecular FormulaC12H21F3
Molecular Weight222.29 g/mol
Exact Mass222.16
IUPAC Name1-(4-methylpentyl)-1-(trifluoromethyl)cyclopentane
SMILESCC(C)CCCC1(C(F)(F)F)CCCC1
InChIInChI=1S/C12H21F3/c1-10(2)6-5-9-11(12(13,14)15)7-3-4-8-11/h10H,3-9H2,1-2H3
InChIKeyKKCCUMXNCVDKTO-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-1-(trifluoromethyl)cyclopentane?
The IUPAC name of 1-(4-methylpentyl)-1-(trifluoromethyl)cyclopentane (CID 146488466) is 1-(4-methylpentyl)-1-(trifluoromethyl)cyclopentane.
What is the SMILES notation for 1-(4-methylpentyl)-1-(trifluoromethyl)cyclopentane?
The canonical SMILES for 1-(4-methylpentyl)-1-(trifluoromethyl)cyclopentane is CC(C)CCCC1(C(F)(F)F)CCCC1.
What is the InChIKey of 1-(4-methylpentyl)-1-(trifluoromethyl)cyclopentane?
The InChIKey is KKCCUMXNCVDKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3/c1-10(2)6-5-9-11(12(13,14)15)7-3-4-8-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-(4-methylpentyl)-1-(trifluoromethyl)cyclopentane?
1-(4-methylpentyl)-1-(trifluoromethyl)cyclopentane has a molecular weight of 222.29 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-1-(trifluoromethyl)cyclopentane is sourced from PubChem (CID 146488466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).