1-(4-fluorophenyl)-3-propan-2-ylcyclobutane-1-carbonitrile

C14H16FN — CID 65016673

IUPAC1-(4-fluorophenyl)-3-propan-2-ylcyclobutane-1-carbonitrile
SMILESCC(C)C1CC(C#N)(c2ccc(F)cc2)C1
InChIInChI=1S/C14H16FN/c1-10(2)11-7-14(8-11,9-16)12-3-5-13(15)6-4-12/h3-6,10-11H,7-8H2,1-2H3
InChIKeyKGSOZGYDQNHPLH-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.65
Rot. Bonds2

About 1-(4-fluorophenyl)-3-propan-2-ylcyclobutane-1-carbonitrile

1-(4-fluorophenyl)-3-propan-2-ylcyclobutane-1-carbonitrile (PubChem CID 65016673) has the molecular formula C14H16FN and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-propan-2-ylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-propan-2-ylcyclobutane-1-carbonitrile
PubChem CID65016673
Molecular FormulaC14H16FN
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name1-(4-fluorophenyl)-3-propan-2-ylcyclobutane-1-carbonitrile
SMILESCC(C)C1CC(C#N)(c2ccc(F)cc2)C1
InChIInChI=1S/C14H16FN/c1-10(2)11-7-14(8-11,9-16)12-3-5-13(15)6-4-12/h3-6,10-11H,7-8H2,1-2H3
InChIKeyKGSOZGYDQNHPLH-UHFFFAOYSA-N
XLogP3.65
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2-methylpropoxy)phenyl]-3-propan-2-ylcyclobutane-1-carbonitrile
CID 65016671
1-(2-chlorophenyl)-3-propan-2-ylcyclobutane-1-carbonitrile
CID 65016876
3-[2-[[[1-[3-cyano-3-(4-fluorophenyl)cyclobutyl]-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-1-(4-fluorophenyl)cyclobutane-1-carbonitrile
CID 68985806
2-(4-fluorophenyl)spiro[3.3]heptane-2-carbonitrile
CID 65009696
(3R)-3-(4-fluorophenyl)oxane-3-carbonitrile
CID 125450406
1-phenyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile
CID 64904200
2,2-bis(4-fluorophenyl)cyclopropane-1-carbonitrile
CID 13201264
3-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 18519974
3-propan-2-yl-1-(propan-2-ylamino)cyclobutane-1-carbonitrile
CID 103563238
3-(2-methylpropylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64904409
3-tert-butyl-1-(4-chlorophenyl)cyclobutane-1-carbonitrile
CID 65017310
1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropane-1-carbonitrile
CID 116992089

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-propan-2-ylcyclobutane-1-carbonitrile?
The IUPAC name of 1-(4-fluorophenyl)-3-propan-2-ylcyclobutane-1-carbonitrile (CID 65016673) is 1-(4-fluorophenyl)-3-propan-2-ylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(4-fluorophenyl)-3-propan-2-ylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-(4-fluorophenyl)-3-propan-2-ylcyclobutane-1-carbonitrile is CC(C)C1CC(C#N)(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-3-propan-2-ylcyclobutane-1-carbonitrile?
The InChIKey is KGSOZGYDQNHPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN/c1-10(2)11-7-14(8-11,9-16)12-3-5-13(15)6-4-12/h3-6,10-11H,7-8H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-propan-2-ylcyclobutane-1-carbonitrile?
1-(4-fluorophenyl)-3-propan-2-ylcyclobutane-1-carbonitrile has a molecular weight of 217.29 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-propan-2-ylcyclobutane-1-carbonitrile is sourced from PubChem (CID 65016673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).