3-(5-chloro-2-fluorophenyl)propanenitrile

C9H7ClFN — CID 82468446

IUPAC3-(5-chloro-2-fluorophenyl)propanenitrile
SMILESN#CCCc1cc(Cl)ccc1F
InChIInChI=1S/C9H7ClFN/c10-8-3-4-9(11)7(6-8)2-1-5-12/h3-4,6H,1-2H2
InChIKeyYAAAZNDUQPJQCU-UHFFFAOYSA-N
MW183.61 g/mol
LogP2.94
Rot. Bonds2

About 3-(5-chloro-2-fluorophenyl)propanenitrile

3-(5-chloro-2-fluorophenyl)propanenitrile (PubChem CID 82468446) has the molecular formula C9H7ClFN and a molecular weight of 183.61 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)propanenitrile.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)propanenitrile
PubChem CID82468446
Molecular FormulaC9H7ClFN
Molecular Weight183.61 g/mol
Exact Mass183.03
IUPAC Name3-(5-chloro-2-fluorophenyl)propanenitrile
SMILESN#CCCc1cc(Cl)ccc1F
InChIInChI=1S/C9H7ClFN/c10-8-3-4-9(11)7(6-8)2-1-5-12/h3-4,6H,1-2H2
InChIKeyYAAAZNDUQPJQCU-UHFFFAOYSA-N
XLogP2.94
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.61
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromo-5-chloro-2-fluorophenyl)propanenitrile
CID 84807102
2-(5-chloro-2-fluorophenyl)ethanamine
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3-(6-chloro-1H-indol-3-yl)propanenitrile
CID 82396450
3-(4-bromo-2,5-difluorophenyl)propanenitrile
CID 84802994
(5-chloro-2-fluorophenyl)methyl-methylcyanamide
CID 117043375
4-chloro-1-fluoro-2-(2-isocyanatoethyl)benzene
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3-[(5-chloro-2-fluorophenyl)methylamino]butanenitrile
CID 104586886
2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride
CID 82482802
2-[[2-(5-chloro-2-fluorophenyl)ethylamino]methyl]butanenitrile
CID 115254049
2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 82491545
3-(2-chloro-5-methylphenyl)propanenitrile
CID 131214076
3-chloro-4-(2-cyanoethyl)benzonitrile
CID 131029307

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)propanenitrile?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)propanenitrile (CID 82468446) is 3-(5-chloro-2-fluorophenyl)propanenitrile.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)propanenitrile?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)propanenitrile is N#CCCc1cc(Cl)ccc1F.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)propanenitrile?
The InChIKey is YAAAZNDUQPJQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN/c10-8-3-4-9(11)7(6-8)2-1-5-12/h3-4,6H,1-2H2.
What are the key properties of 3-(5-chloro-2-fluorophenyl)propanenitrile?
3-(5-chloro-2-fluorophenyl)propanenitrile has a molecular weight of 183.61 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)propanenitrile is sourced from PubChem (CID 82468446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).