2-(cyclopropanecarbonyl)-6-fluorobenzonitrile

C11H8FNO — CID 130136989

IUPAC2-(cyclopropanecarbonyl)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1C(=O)C1CC1
InChIInChI=1S/C11H8FNO/c12-10-3-1-2-8(9(10)6-13)11(14)7-4-5-7/h1-3,7H,4-5H2
InChIKeyZNPGYCSMOBGILD-UHFFFAOYSA-N
MW189.19 g/mol
LogP2.29
Rot. Bonds2

About 2-(cyclopropanecarbonyl)-6-fluorobenzonitrile

2-(cyclopropanecarbonyl)-6-fluorobenzonitrile (PubChem CID 130136989) has the molecular formula C11H8FNO and a molecular weight of 189.19 g/mol. Its IUPAC name is 2-(cyclopropanecarbonyl)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(cyclopropanecarbonyl)-6-fluorobenzonitrile
PubChem CID130136989
Molecular FormulaC11H8FNO
Molecular Weight189.19 g/mol
Exact Mass189.06
IUPAC Name2-(cyclopropanecarbonyl)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1C(=O)C1CC1
InChIInChI=1S/C11H8FNO/c12-10-3-1-2-8(9(10)6-13)11(14)7-4-5-7/h1-3,7H,4-5H2
InChIKeyZNPGYCSMOBGILD-UHFFFAOYSA-N
XLogP2.29
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(2-fluorophenyl)methanone
CID 22750154
2-(8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonyl)-6-fluorobenzonitrile
CID 171946638
N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide
CID 43580354
2-fluoro-6-(2-methylprop-2-enoyl)benzonitrile
CID 130136976
cyclopropyl-(2-fluoro-3-methylphenyl)methanone
CID 70266703
(2-amino-3-fluorophenyl)-(4-methylcyclohexyl)methanone
CID 116597755
2-fluoro-6-(3-phenylpropanoyl)benzonitrile
CID 146010437
N-(2-cyano-3-fluorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 71999484
(2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone
CID 114975920
N-(2-cyano-3-fluorophenyl)pyrrolidine-1-carboxamide
CID 78954561
N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide
CID 43580743
3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
CID 63041812

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonyl)-6-fluorobenzonitrile?
The IUPAC name of 2-(cyclopropanecarbonyl)-6-fluorobenzonitrile (CID 130136989) is 2-(cyclopropanecarbonyl)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(cyclopropanecarbonyl)-6-fluorobenzonitrile?
The canonical SMILES for 2-(cyclopropanecarbonyl)-6-fluorobenzonitrile is N#Cc1c(F)cccc1C(=O)C1CC1.
What is the InChIKey of 2-(cyclopropanecarbonyl)-6-fluorobenzonitrile?
The InChIKey is ZNPGYCSMOBGILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO/c12-10-3-1-2-8(9(10)6-13)11(14)7-4-5-7/h1-3,7H,4-5H2.
What are the key properties of 2-(cyclopropanecarbonyl)-6-fluorobenzonitrile?
2-(cyclopropanecarbonyl)-6-fluorobenzonitrile has a molecular weight of 189.19 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonyl)-6-fluorobenzonitrile is sourced from PubChem (CID 130136989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).