1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carbonitrile

C11H16F3NO — CID 65379316

IUPAC1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carbonitrile
SMILESN#CC1(CCCOCC(F)(F)F)CCCC1
InChIInChI=1S/C11H16F3NO/c12-11(13,14)9-16-7-3-6-10(8-15)4-1-2-5-10/h1-7,9H2
InChIKeyCYTBHMULOLTTND-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.43
Rot. Bonds5

About 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carbonitrile

1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carbonitrile (PubChem CID 65379316) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carbonitrile
PubChem CID65379316
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carbonitrile
SMILESN#CC1(CCCOCC(F)(F)F)CCCC1
InChIInChI=1S/C11H16F3NO/c12-11(13,14)9-16-7-3-6-10(8-15)4-1-2-5-10/h1-7,9H2
InChIKeyCYTBHMULOLTTND-UHFFFAOYSA-N
XLogP3.43
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.43
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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Related Compounds

1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carbonitrile
CID 65379314
1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctane-1-carbonitrile
CID 80602622
1-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carbonitrile
CID 103415019
2-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1-carbonitrile
CID 65393991
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclohexane-1-carbonitrile
CID 104568465
1-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine
CID 62622346
3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carbonitrile
CID 65394387
1-(3-methoxypropyl)cyclobutane-1-carbonitrile
CID 65376205
1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid
CID 62738365
1-(2-ethoxyethyl)cycloheptane-1-carbonitrile
CID 65390901
[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol
CID 66023665
1-(4-methoxybutyl)cyclooctane-1-carbonitrile
CID 104650536

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carbonitrile (CID 65379316) is 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carbonitrile is N#CC1(CCCOCC(F)(F)F)CCCC1.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carbonitrile?
The InChIKey is CYTBHMULOLTTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c12-11(13,14)9-16-7-3-6-10(8-15)4-1-2-5-10/h1-7,9H2.
What are the key properties of 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carbonitrile?
1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carbonitrile has a molecular weight of 235.25 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 65379316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).