3-(cyclopentylmethoxy)-5-(trifluoromethyl)benzonitrile

C14H14F3NO — CID 122475704

IUPAC3-(cyclopentylmethoxy)-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(OCC2CCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO/c15-14(16,17)12-5-11(8-18)6-13(7-12)19-9-10-3-1-2-4-10/h5-7,10H,1-4,9H2
InChIKeyRRXOBZCDXIPOSJ-UHFFFAOYSA-N
MW269.27 g/mol
LogP4.15
Rot. Bonds3

About 3-(cyclopentylmethoxy)-5-(trifluoromethyl)benzonitrile

3-(cyclopentylmethoxy)-5-(trifluoromethyl)benzonitrile (PubChem CID 122475704) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 3-(cyclopentylmethoxy)-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name3-(cyclopentylmethoxy)-5-(trifluoromethyl)benzonitrile
PubChem CID122475704
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name3-(cyclopentylmethoxy)-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(OCC2CCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO/c15-14(16,17)12-5-11(8-18)6-13(7-12)19-9-10-3-1-2-4-10/h5-7,10H,1-4,9H2
InChIKeyRRXOBZCDXIPOSJ-UHFFFAOYSA-N
XLogP4.15
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethoxy)-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 3-(cyclopentylmethoxy)-5-(trifluoromethyl)benzonitrile (CID 122475704) is 3-(cyclopentylmethoxy)-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 3-(cyclopentylmethoxy)-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 3-(cyclopentylmethoxy)-5-(trifluoromethyl)benzonitrile is N#Cc1cc(OCC2CCCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(cyclopentylmethoxy)-5-(trifluoromethyl)benzonitrile?
The InChIKey is RRXOBZCDXIPOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c15-14(16,17)12-5-11(8-18)6-13(7-12)19-9-10-3-1-2-4-10/h5-7,10H,1-4,9H2.
What are the key properties of 3-(cyclopentylmethoxy)-5-(trifluoromethyl)benzonitrile?
3-(cyclopentylmethoxy)-5-(trifluoromethyl)benzonitrile has a molecular weight of 269.27 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethoxy)-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 122475704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).