4-[(4-fluorophenyl)methylamino]cyclohexane-1-carbonitrile

C14H17FN2 — CID 115150124

IUPAC4-[(4-fluorophenyl)methylamino]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(NCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FN2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-2,5-6,11,14,17H,3-4,7-8,10H2
InChIKeyQZPUFEJTFVQSEY-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.00
Rot. Bonds3

About 4-[(4-fluorophenyl)methylamino]cyclohexane-1-carbonitrile

4-[(4-fluorophenyl)methylamino]cyclohexane-1-carbonitrile (PubChem CID 115150124) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylamino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylamino]cyclohexane-1-carbonitrile
PubChem CID115150124
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name4-[(4-fluorophenyl)methylamino]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(NCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FN2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-2,5-6,11,14,17H,3-4,7-8,10H2
InChIKeyQZPUFEJTFVQSEY-UHFFFAOYSA-N
XLogP3.00
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylamino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[(4-fluorophenyl)methylamino]cyclohexane-1-carbonitrile (CID 115150124) is 4-[(4-fluorophenyl)methylamino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[(4-fluorophenyl)methylamino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[(4-fluorophenyl)methylamino]cyclohexane-1-carbonitrile is N#CC1CCC(NCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methylamino]cyclohexane-1-carbonitrile?
The InChIKey is QZPUFEJTFVQSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-2,5-6,11,14,17H,3-4,7-8,10H2.
What are the key properties of 4-[(4-fluorophenyl)methylamino]cyclohexane-1-carbonitrile?
4-[(4-fluorophenyl)methylamino]cyclohexane-1-carbonitrile has a molecular weight of 232.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylamino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 115150124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).