2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetonitrile

C14H14F3N — CID 86725930

IUPAC2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetonitrile
SMILESN#CCC1(c2ccc(C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C14H14F3N/c15-14(16,17)12-5-3-11(4-6-12)13(9-10-18)7-1-2-8-13/h3-6H,1-2,7-9H2
InChIKeyZAJCNIHBBMCVKH-UHFFFAOYSA-N
MW253.27 g/mol
LogP4.43
Rot. Bonds2

About 2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetonitrile

2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetonitrile (PubChem CID 86725930) has the molecular formula C14H14F3N and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetonitrile
PubChem CID86725930
Molecular FormulaC14H14F3N
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetonitrile
SMILESN#CCC1(c2ccc(C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C14H14F3N/c15-14(16,17)12-5-3-11(4-6-12)13(9-10-18)7-1-2-8-13/h3-6H,1-2,7-9H2
InChIKeyZAJCNIHBBMCVKH-UHFFFAOYSA-N
XLogP4.43
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetonitrile?
The IUPAC name of 2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetonitrile (CID 86725930) is 2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetonitrile.
What is the SMILES notation for 2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetonitrile?
The canonical SMILES for 2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetonitrile is N#CCC1(c2ccc(C(F)(F)F)cc2)CCCC1.
What is the InChIKey of 2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetonitrile?
The InChIKey is ZAJCNIHBBMCVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N/c15-14(16,17)12-5-3-11(4-6-12)13(9-10-18)7-1-2-8-13/h3-6H,1-2,7-9H2.
What are the key properties of 2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetonitrile?
2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetonitrile has a molecular weight of 253.27 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetonitrile is sourced from PubChem (CID 86725930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).