2-cyclobutyl-3-fluorobutanenitrile

C8H12FN — CID 105428237

IUPAC2-cyclobutyl-3-fluorobutanenitrile
SMILESCC(F)C(C#N)C1CCC1
InChIInChI=1S/C8H12FN/c1-6(9)8(5-10)7-3-2-4-7/h6-8H,2-4H2,1H3
InChIKeyCKMKJWDWAQKURC-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.28
Rot. Bonds2

About 2-cyclobutyl-3-fluorobutanenitrile

2-cyclobutyl-3-fluorobutanenitrile (PubChem CID 105428237) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 2-cyclobutyl-3-fluorobutanenitrile.

Molecular Properties

Compound Name2-cyclobutyl-3-fluorobutanenitrile
PubChem CID105428237
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name2-cyclobutyl-3-fluorobutanenitrile
SMILESCC(F)C(C#N)C1CCC1
InChIInChI=1S/C8H12FN/c1-6(9)8(5-10)7-3-2-4-7/h6-8H,2-4H2,1H3
InChIKeyCKMKJWDWAQKURC-UHFFFAOYSA-N
XLogP2.28
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-cyclohexyl-2-fluoroacetonitrile
CID 11040792
3-cyclohexyl-4-fluoropentanenitrile
CID 105440768
2-[cyclobutyl(dimethylamino)methyl]-3-methylbutanenitrile
CID 116913843
(3R)-3-cyclopentylbutanenitrile
CID 142587124
(2S)-2-cyclobutyl-2-hydroxyacetonitrile
CID 130129350
2-(cyclobutylmethyl)-3-methylbutanenitrile
CID 116931782
2-cyclopropyl-2-fluoroacetonitrile
CID 115011030
2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile
CID 115254419
2-[cyclopentyl(dimethylamino)methyl]-3-methylbutanenitrile
CID 116913834
2-cyclohexylpropanedinitrile
CID 11171058
(1S)-1-chloro-3-(1,2-difluoropropyl)cyclohexane
CID 134343911
[(1S)-1-cyclohexylethyl] cyanate
CID 58109695

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-3-fluorobutanenitrile?
The IUPAC name of 2-cyclobutyl-3-fluorobutanenitrile (CID 105428237) is 2-cyclobutyl-3-fluorobutanenitrile.
What is the SMILES notation for 2-cyclobutyl-3-fluorobutanenitrile?
The canonical SMILES for 2-cyclobutyl-3-fluorobutanenitrile is CC(F)C(C#N)C1CCC1.
What is the InChIKey of 2-cyclobutyl-3-fluorobutanenitrile?
The InChIKey is CKMKJWDWAQKURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-6(9)8(5-10)7-3-2-4-7/h6-8H,2-4H2,1H3.
What are the key properties of 2-cyclobutyl-3-fluorobutanenitrile?
2-cyclobutyl-3-fluorobutanenitrile has a molecular weight of 141.19 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-3-fluorobutanenitrile is sourced from PubChem (CID 105428237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).