3-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexane-1-carbonitrile

C14H14FN — CID 139820883

IUPAC3-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexane-1-carbonitrile
SMILESN#CC12CC(Cc3ccc(F)cc3)CC1C2
InChIInChI=1S/C14H14FN/c15-13-3-1-10(2-4-13)5-11-6-12-8-14(12,7-11)9-16/h1-4,11-12H,5-8H2
InChIKeyCFODIGIXKMIAMW-UHFFFAOYSA-N
MW215.27 g/mol
LogP3.31
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexane-1-carbonitrile

3-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexane-1-carbonitrile (PubChem CID 139820883) has the molecular formula C14H14FN and a molecular weight of 215.27 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexane-1-carbonitrile.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexane-1-carbonitrile
PubChem CID139820883
Molecular FormulaC14H14FN
Molecular Weight215.27 g/mol
Exact Mass215.11
IUPAC Name3-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexane-1-carbonitrile
SMILESN#CC12CC(Cc3ccc(F)cc3)CC1C2
InChIInChI=1S/C14H14FN/c15-13-3-1-10(2-4-13)5-11-6-12-8-14(12,7-11)9-16/h1-4,11-12H,5-8H2
InChIKeyCFODIGIXKMIAMW-UHFFFAOYSA-N
XLogP3.31
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexane-1-carbonitrile?
The IUPAC name of 3-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexane-1-carbonitrile (CID 139820883) is 3-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexane-1-carbonitrile.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexane-1-carbonitrile?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexane-1-carbonitrile is N#CC12CC(Cc3ccc(F)cc3)CC1C2.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexane-1-carbonitrile?
The InChIKey is CFODIGIXKMIAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN/c15-13-3-1-10(2-4-13)5-11-6-12-8-14(12,7-11)9-16/h1-4,11-12H,5-8H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexane-1-carbonitrile?
3-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexane-1-carbonitrile has a molecular weight of 215.27 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexane-1-carbonitrile is sourced from PubChem (CID 139820883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).