2-fluoro-2-phenylcyclopropane-1-carbonitrile

C10H8FN — CID 102180676

IUPAC2-fluoro-2-phenylcyclopropane-1-carbonitrile
SMILESN#CC1CC1(F)c1ccccc1
InChIInChI=1S/C10H8FN/c11-10(6-9(10)7-12)8-4-2-1-3-5-8/h1-5,9H,6H2
InChIKeyIYSSYTSTTDAOKE-UHFFFAOYSA-N
MW161.18 g/mol
LogP2.39
Rot. Bonds1

About 2-fluoro-2-phenylcyclopropane-1-carbonitrile

2-fluoro-2-phenylcyclopropane-1-carbonitrile (PubChem CID 102180676) has the molecular formula C10H8FN and a molecular weight of 161.18 g/mol. Its IUPAC name is 2-fluoro-2-phenylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-fluoro-2-phenylcyclopropane-1-carbonitrile
PubChem CID102180676
Molecular FormulaC10H8FN
Molecular Weight161.18 g/mol
Exact Mass161.06
IUPAC Name2-fluoro-2-phenylcyclopropane-1-carbonitrile
SMILESN#CC1CC1(F)c1ccccc1
InChIInChI=1S/C10H8FN/c11-10(6-9(10)7-12)8-4-2-1-3-5-8/h1-5,9H,6H2
InChIKeyIYSSYTSTTDAOKE-UHFFFAOYSA-N
XLogP2.39
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-phenylcyclopropane-1-carbonitrile?
The IUPAC name of 2-fluoro-2-phenylcyclopropane-1-carbonitrile (CID 102180676) is 2-fluoro-2-phenylcyclopropane-1-carbonitrile.
What is the SMILES notation for 2-fluoro-2-phenylcyclopropane-1-carbonitrile?
The canonical SMILES for 2-fluoro-2-phenylcyclopropane-1-carbonitrile is N#CC1CC1(F)c1ccccc1.
What is the InChIKey of 2-fluoro-2-phenylcyclopropane-1-carbonitrile?
The InChIKey is IYSSYTSTTDAOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN/c11-10(6-9(10)7-12)8-4-2-1-3-5-8/h1-5,9H,6H2.
What are the key properties of 2-fluoro-2-phenylcyclopropane-1-carbonitrile?
2-fluoro-2-phenylcyclopropane-1-carbonitrile has a molecular weight of 161.18 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-phenylcyclopropane-1-carbonitrile is sourced from PubChem (CID 102180676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).