2-(3-chloro-2-fluoro-6-methoxyphenyl)propanenitrile

C10H9ClFNO — CID 84783015

IUPAC2-(3-chloro-2-fluoro-6-methoxyphenyl)propanenitrile
SMILESCOc1ccc(Cl)c(F)c1C(C)C#N
InChIInChI=1S/C10H9ClFNO/c1-6(5-13)9-8(14-2)4-3-7(11)10(9)12/h3-4,6H,1-2H3
InChIKeyHPVFVDVNYXOAJO-UHFFFAOYSA-N
MW213.64 g/mol
LogP3.11
Rot. Bonds2

About 2-(3-chloro-2-fluoro-6-methoxyphenyl)propanenitrile

2-(3-chloro-2-fluoro-6-methoxyphenyl)propanenitrile (PubChem CID 84783015) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is 2-(3-chloro-2-fluoro-6-methoxyphenyl)propanenitrile.

Molecular Properties

Compound Name2-(3-chloro-2-fluoro-6-methoxyphenyl)propanenitrile
PubChem CID84783015
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC Name2-(3-chloro-2-fluoro-6-methoxyphenyl)propanenitrile
SMILESCOc1ccc(Cl)c(F)c1C(C)C#N
InChIInChI=1S/C10H9ClFNO/c1-6(5-13)9-8(14-2)4-3-7(11)10(9)12/h3-4,6H,1-2H3
InChIKeyHPVFVDVNYXOAJO-UHFFFAOYSA-N
XLogP3.11
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluoro-6-methoxyphenyl)butan-1-ol;ethane
CID 144527983
(2R)-2-amino-2-(2,6-difluoro-3-methoxyphenyl)acetonitrile
CID 130625977
2-(2-chloro-6-methoxyphenyl)-2-methoxyacetonitrile
CID 104819014
2-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)propanenitrile
CID 84783023
2-(3-chloro-5-fluoro-4-methoxyphenyl)propanenitrile
CID 130135021
2-(2,5-difluoro-4-methoxyphenyl)propanenitrile
CID 83699160
2-[(1S)-1-aminoethyl]-6-chloro-3-methoxyphenol
CID 130804121
2-(4,8-dimethoxynaphthalen-1-yl)propanenitrile
CID 11333945
(3-chloro-2-fluoro-6-methoxyphenyl)methanimine
CID 170083934
1-chloro-2-fluoro-3-methoxybenzene;methane
CID 142301090
1-chloro-2-ethyl-3-fluoro-4-methoxybenzene
CID 118261733
1-(2,3-difluoro-6-methoxyphenyl)ethanol
CID 58022414

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluoro-6-methoxyphenyl)propanenitrile?
The IUPAC name of 2-(3-chloro-2-fluoro-6-methoxyphenyl)propanenitrile (CID 84783015) is 2-(3-chloro-2-fluoro-6-methoxyphenyl)propanenitrile.
What is the SMILES notation for 2-(3-chloro-2-fluoro-6-methoxyphenyl)propanenitrile?
The canonical SMILES for 2-(3-chloro-2-fluoro-6-methoxyphenyl)propanenitrile is COc1ccc(Cl)c(F)c1C(C)C#N.
What is the InChIKey of 2-(3-chloro-2-fluoro-6-methoxyphenyl)propanenitrile?
The InChIKey is HPVFVDVNYXOAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO/c1-6(5-13)9-8(14-2)4-3-7(11)10(9)12/h3-4,6H,1-2H3.
What are the key properties of 2-(3-chloro-2-fluoro-6-methoxyphenyl)propanenitrile?
2-(3-chloro-2-fluoro-6-methoxyphenyl)propanenitrile has a molecular weight of 213.64 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluoro-6-methoxyphenyl)propanenitrile is sourced from PubChem (CID 84783015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).