1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carbonitrile

C10H14F3NO — CID 65379314

IUPAC1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(CCOCC(F)(F)F)CCCC1
InChIInChI=1S/C10H14F3NO/c11-10(12,13)8-15-6-5-9(7-14)3-1-2-4-9/h1-6,8H2
InChIKeyQGFFXCVURCFLFX-UHFFFAOYSA-N
MW221.22 g/mol
LogP3.04
Rot. Bonds4

About 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carbonitrile

1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carbonitrile (PubChem CID 65379314) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carbonitrile
PubChem CID65379314
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(CCOCC(F)(F)F)CCCC1
InChIInChI=1S/C10H14F3NO/c11-10(12,13)8-15-6-5-9(7-14)3-1-2-4-9/h1-6,8H2
InChIKeyQGFFXCVURCFLFX-UHFFFAOYSA-N
XLogP3.04
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carbonitrile (CID 65379314) is 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carbonitrile is N#CC1(CCOCC(F)(F)F)CCCC1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is QGFFXCVURCFLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c11-10(12,13)8-15-6-5-9(7-14)3-1-2-4-9/h1-6,8H2.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carbonitrile?
1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 221.22 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 65379314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).