2-(3-fluorophenyl)spiro[3.4]octane-2-carbonitrile

C15H16FN — CID 65003209

IUPAC2-(3-fluorophenyl)spiro[3.4]octane-2-carbonitrile
SMILESN#CC1(c2cccc(F)c2)CC2(CCCC2)C1
InChIInChI=1S/C15H16FN/c16-13-5-3-4-12(8-13)15(11-17)9-14(10-15)6-1-2-7-14/h3-5,8H,1-2,6-7,9-10H2
InChIKeyHZWIKEZUYDFVIU-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.94
Rot. Bonds1

About 2-(3-fluorophenyl)spiro[3.4]octane-2-carbonitrile

2-(3-fluorophenyl)spiro[3.4]octane-2-carbonitrile (PubChem CID 65003209) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)spiro[3.4]octane-2-carbonitrile.

Molecular Properties

Compound Name2-(3-fluorophenyl)spiro[3.4]octane-2-carbonitrile
PubChem CID65003209
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name2-(3-fluorophenyl)spiro[3.4]octane-2-carbonitrile
SMILESN#CC1(c2cccc(F)c2)CC2(CCCC2)C1
InChIInChI=1S/C15H16FN/c16-13-5-3-4-12(8-13)15(11-17)9-14(10-15)6-1-2-7-14/h3-5,8H,1-2,6-7,9-10H2
InChIKeyHZWIKEZUYDFVIU-UHFFFAOYSA-N
XLogP3.94
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)spiro[3.4]octane-2-carbonitrile?
The IUPAC name of 2-(3-fluorophenyl)spiro[3.4]octane-2-carbonitrile (CID 65003209) is 2-(3-fluorophenyl)spiro[3.4]octane-2-carbonitrile.
What is the SMILES notation for 2-(3-fluorophenyl)spiro[3.4]octane-2-carbonitrile?
The canonical SMILES for 2-(3-fluorophenyl)spiro[3.4]octane-2-carbonitrile is N#CC1(c2cccc(F)c2)CC2(CCCC2)C1.
What is the InChIKey of 2-(3-fluorophenyl)spiro[3.4]octane-2-carbonitrile?
The InChIKey is HZWIKEZUYDFVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c16-13-5-3-4-12(8-13)15(11-17)9-14(10-15)6-1-2-7-14/h3-5,8H,1-2,6-7,9-10H2.
What are the key properties of 2-(3-fluorophenyl)spiro[3.4]octane-2-carbonitrile?
2-(3-fluorophenyl)spiro[3.4]octane-2-carbonitrile has a molecular weight of 229.30 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)spiro[3.4]octane-2-carbonitrile is sourced from PubChem (CID 65003209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).