2-[2,6-dichloro-3-(difluoromethoxy)phenyl]acetonitrile

C9H5Cl2F2NO — CID 118998262

IUPAC2-[2,6-dichloro-3-(difluoromethoxy)phenyl]acetonitrile
SMILESN#CCc1c(Cl)ccc(OC(F)F)c1Cl
InChIInChI=1S/C9H5Cl2F2NO/c10-6-1-2-7(15-9(12)13)8(11)5(6)3-4-14/h1-2,9H,3H2
InChIKeyAXTYRKZYQNRQOG-UHFFFAOYSA-N
MW252.05 g/mol
LogP3.66
Rot. Bonds3

About 2-[2,6-dichloro-3-(difluoromethoxy)phenyl]acetonitrile

2-[2,6-dichloro-3-(difluoromethoxy)phenyl]acetonitrile (PubChem CID 118998262) has the molecular formula C9H5Cl2F2NO and a molecular weight of 252.05 g/mol. Its IUPAC name is 2-[2,6-dichloro-3-(difluoromethoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2,6-dichloro-3-(difluoromethoxy)phenyl]acetonitrile
PubChem CID118998262
Molecular FormulaC9H5Cl2F2NO
Molecular Weight252.05 g/mol
Exact Mass250.97
IUPAC Name2-[2,6-dichloro-3-(difluoromethoxy)phenyl]acetonitrile
SMILESN#CCc1c(Cl)ccc(OC(F)F)c1Cl
InChIInChI=1S/C9H5Cl2F2NO/c10-6-1-2-7(15-9(12)13)8(11)5(6)3-4-14/h1-2,9H,3H2
InChIKeyAXTYRKZYQNRQOG-UHFFFAOYSA-N
XLogP3.66
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.05
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-chloro-3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile
CID 171003505
2-[2-(difluoromethoxy)-5-fluorophenyl]acetonitrile
CID 118808935
dichloroplatinum;2-[2-(difluoromethoxy)phenyl]acetonitrile
CID 159199429
2,3-dichloro-6-(difluoromethoxy)benzaldehyde
CID 121228172
1,3-dichloro-4-(difluoromethoxy)-2-methylsulfanylbenzene
CID 119005607
2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile
CID 4962241
2-[3,6-dichloro-2-(trifluoromethyl)phenyl]acetonitrile
CID 171009970
2,3-dichloro-1-(chloromethyl)-4-(difluoromethoxy)benzene
CID 118849305
1,2,3-trichloro-4-[2-chloro-3-(difluoromethoxy)phenyl]benzene
CID 134622361
2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetonitrile
CID 119022905
2-(2-chloro-3-fluoro-6-methoxyphenyl)acetonitrile
CID 130889587
1,3-dichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene
CID 119010912

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-3-(difluoromethoxy)phenyl]acetonitrile?
The IUPAC name of 2-[2,6-dichloro-3-(difluoromethoxy)phenyl]acetonitrile (CID 118998262) is 2-[2,6-dichloro-3-(difluoromethoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-[2,6-dichloro-3-(difluoromethoxy)phenyl]acetonitrile?
The canonical SMILES for 2-[2,6-dichloro-3-(difluoromethoxy)phenyl]acetonitrile is N#CCc1c(Cl)ccc(OC(F)F)c1Cl.
What is the InChIKey of 2-[2,6-dichloro-3-(difluoromethoxy)phenyl]acetonitrile?
The InChIKey is AXTYRKZYQNRQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2F2NO/c10-6-1-2-7(15-9(12)13)8(11)5(6)3-4-14/h1-2,9H,3H2.
What are the key properties of 2-[2,6-dichloro-3-(difluoromethoxy)phenyl]acetonitrile?
2-[2,6-dichloro-3-(difluoromethoxy)phenyl]acetonitrile has a molecular weight of 252.05 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-3-(difluoromethoxy)phenyl]acetonitrile is sourced from PubChem (CID 118998262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).