2-(4-fluorophenyl)spiro[3.3]heptane-2-carbonitrile

C14H14FN — CID 65009696

IUPAC2-(4-fluorophenyl)spiro[3.3]heptane-2-carbonitrile
SMILESN#CC1(c2ccc(F)cc2)CC2(CCC2)C1
InChIInChI=1S/C14H14FN/c15-12-4-2-11(3-5-12)14(10-16)8-13(9-14)6-1-7-13/h2-5H,1,6-9H2
InChIKeyRFTIXTPPAOCQHB-UHFFFAOYSA-N
MW215.27 g/mol
LogP3.55
Rot. Bonds1

About 2-(4-fluorophenyl)spiro[3.3]heptane-2-carbonitrile

2-(4-fluorophenyl)spiro[3.3]heptane-2-carbonitrile (PubChem CID 65009696) has the molecular formula C14H14FN and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)spiro[3.3]heptane-2-carbonitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)spiro[3.3]heptane-2-carbonitrile
PubChem CID65009696
Molecular FormulaC14H14FN
Molecular Weight215.27 g/mol
Exact Mass215.11
IUPAC Name2-(4-fluorophenyl)spiro[3.3]heptane-2-carbonitrile
SMILESN#CC1(c2ccc(F)cc2)CC2(CCC2)C1
InChIInChI=1S/C14H14FN/c15-12-4-2-11(3-5-12)14(10-16)8-13(9-14)6-1-7-13/h2-5H,1,6-9H2
InChIKeyRFTIXTPPAOCQHB-UHFFFAOYSA-N
XLogP3.55
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-fluorophenyl)spiro[3.3]heptane-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)spiro[3.3]heptane-2-carbonitrile?
The IUPAC name of 2-(4-fluorophenyl)spiro[3.3]heptane-2-carbonitrile (CID 65009696) is 2-(4-fluorophenyl)spiro[3.3]heptane-2-carbonitrile.
What is the SMILES notation for 2-(4-fluorophenyl)spiro[3.3]heptane-2-carbonitrile?
The canonical SMILES for 2-(4-fluorophenyl)spiro[3.3]heptane-2-carbonitrile is N#CC1(c2ccc(F)cc2)CC2(CCC2)C1.
What is the InChIKey of 2-(4-fluorophenyl)spiro[3.3]heptane-2-carbonitrile?
The InChIKey is RFTIXTPPAOCQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN/c15-12-4-2-11(3-5-12)14(10-16)8-13(9-14)6-1-7-13/h2-5H,1,6-9H2.
What are the key properties of 2-(4-fluorophenyl)spiro[3.3]heptane-2-carbonitrile?
2-(4-fluorophenyl)spiro[3.3]heptane-2-carbonitrile has a molecular weight of 215.27 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)spiro[3.3]heptane-2-carbonitrile is sourced from PubChem (CID 65009696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).