2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile

C10H9F2NO2 — CID 4962241

IUPAC2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile
SMILESCOc1cc(CC#N)ccc1OC(F)F
InChIInChI=1S/C10H9F2NO2/c1-14-9-6-7(4-5-13)2-3-8(9)15-10(11)12/h2-3,6,10H,4H2,1H3
InChIKeyKGGCQRVATOPOOI-UHFFFAOYSA-N
MW213.18 g/mol
LogP2.36
Rot. Bonds4

About 2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile

2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile (PubChem CID 4962241) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile
PubChem CID4962241
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile
SMILESCOc1cc(CC#N)ccc1OC(F)F
InChIInChI=1S/C10H9F2NO2/c1-14-9-6-7(4-5-13)2-3-8(9)15-10(11)12/h2-3,6,10H,4H2,1H3
InChIKeyKGGCQRVATOPOOI-UHFFFAOYSA-N
XLogP2.36
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethenoxy-3-methoxyphenyl)acetonitrile
CID 123266381
2-(4-butoxy-3-methoxyphenyl)acetonitrile
CID 21245118
4-[[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]methyl]benzonitrile
CID 8710918
3-chloro-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]benzonitrile
CID 8977323
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 60760640
2-[3-[4-(cyanomethyl)-2-methoxyphenoxy]phenyl]acetonitrile
CID 139463123
2-[2-(difluoromethoxy)-5-fluorophenyl]acetonitrile
CID 118808935
[5-(cyanomethyl)-2-methoxyphenyl] acetate
CID 11052761
2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride
CID 172691211
1,2-bis(difluoromethoxy)-4-ethylbenzene
CID 70298002
2-(4-formyl-3-methoxyphenyl)acetonitrile
CID 21348723
2-[3,4-dibromo-5-(difluoromethoxy)phenyl]acetonitrile
CID 121227965

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile?
The IUPAC name of 2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile (CID 4962241) is 2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile.
What is the SMILES notation for 2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile?
The canonical SMILES for 2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile is COc1cc(CC#N)ccc1OC(F)F.
What is the InChIKey of 2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile?
The InChIKey is KGGCQRVATOPOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c1-14-9-6-7(4-5-13)2-3-8(9)15-10(11)12/h2-3,6,10H,4H2,1H3.
What are the key properties of 2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile?
2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile has a molecular weight of 213.18 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile is sourced from PubChem (CID 4962241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).