1-(2,2,2-trifluoroethyl)cyclobutane-1-carbonitrile

C7H8F3N — CID 130513647

IUPAC1-(2,2,2-trifluoroethyl)cyclobutane-1-carbonitrile
SMILESN#CC1(CC(F)(F)F)CCC1
InChIInChI=1S/C7H8F3N/c8-7(9,10)4-6(5-11)2-1-3-6/h1-4H2
InChIKeyOHSWRMNAVRVHOI-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.63
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)cyclobutane-1-carbonitrile

1-(2,2,2-trifluoroethyl)cyclobutane-1-carbonitrile (PubChem CID 130513647) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)cyclobutane-1-carbonitrile
PubChem CID130513647
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name1-(2,2,2-trifluoroethyl)cyclobutane-1-carbonitrile
SMILESN#CC1(CC(F)(F)F)CCC1
InChIInChI=1S/C7H8F3N/c8-7(9,10)4-6(5-11)2-1-3-6/h1-4H2
InChIKeyOHSWRMNAVRVHOI-UHFFFAOYSA-N
XLogP2.63
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutane-1-carbonitrile
CID 116627789
1-(2,2,3,3-tetrafluoropropyl)cyclopropane-1-carbonitrile
CID 130526768
1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carbonitrile
CID 65379314
potassium (1-cyanocyclobutyl)methyl-trifluoroboranuide
CID 155821923
1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctane-1-carbonitrile
CID 80602622
1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carbonitrile
CID 65379316
1-ethylcyclopentane-1-carbonitrile
CID 12859571
(1-cyanocyclobutyl)methanesulfinyl chloride
CID 165452706
(1-cyanocyclobutyl)methanesulfonyl chloride
CID 75480697
1-[(3,3-dimethylbutylamino)methyl]cyclobutane-1-carbonitrile
CID 115245405
1-(trifluoromethylsulfonylmethyl)cyclopropane-1-carbonitrile
CID 130683227
1-(2-hydroxyethyl)cycloheptane-1-carbonitrile
CID 130514134

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(2,2,2-trifluoroethyl)cyclobutane-1-carbonitrile (CID 130513647) is 1-(2,2,2-trifluoroethyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)cyclobutane-1-carbonitrile is N#CC1(CC(F)(F)F)CCC1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)cyclobutane-1-carbonitrile?
The InChIKey is OHSWRMNAVRVHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c8-7(9,10)4-6(5-11)2-1-3-6/h1-4H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)cyclobutane-1-carbonitrile?
1-(2,2,2-trifluoroethyl)cyclobutane-1-carbonitrile has a molecular weight of 163.14 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 130513647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).