2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile

C10H10FNO — CID 84767792

IUPAC2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile
SMILESCOc1cccc(CC#N)c1CF
InChIInChI=1S/C10H10FNO/c1-13-10-4-2-3-8(5-6-12)9(10)7-11/h2-4H,5,7H2,1H3
InChIKeyNDFJZJXNFLAUEB-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.23
Rot. Bonds3

About 2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile

2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile (PubChem CID 84767792) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile
PubChem CID84767792
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile
SMILESCOc1cccc(CC#N)c1CF
InChIInChI=1S/C10H10FNO/c1-13-10-4-2-3-8(5-6-12)9(10)7-11/h2-4H,5,7H2,1H3
InChIKeyNDFJZJXNFLAUEB-UHFFFAOYSA-N
XLogP2.23
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(aminomethyl)-6-methoxyphenyl]acetonitrile
CID 82503447
1-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpropan-2-amine
CID 117302009
2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile
CID 131869127
1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one
CID 84666859
2-(2-methoxy-6-nitrophenyl)acetonitrile;2-(3-methoxy-2-nitrophenyl)acetonitrile
CID 53447012
azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile
CID 87598174
2-(3-fluoro-2-methoxyphenyl)acetonitrile
CID 46737695
1-[2-(fluoromethyl)-6-methoxyphenyl]-2-methylpropan-2-amine
CID 117302010
2-[2-ethyl-3-(trifluoromethoxy)phenyl]acetonitrile
CID 170999109
2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile
CID 20513415
diethyl 2-[2-(cyanomethyl)-6-methoxyphenyl]propanedioate
CID 134918389
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]acetonitrile
CID 117370390

Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile?
The IUPAC name of 2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile (CID 84767792) is 2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile.
What is the SMILES notation for 2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile?
The canonical SMILES for 2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile is COc1cccc(CC#N)c1CF.
What is the InChIKey of 2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile?
The InChIKey is NDFJZJXNFLAUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-13-10-4-2-3-8(5-6-12)9(10)7-11/h2-4H,5,7H2,1H3.
What are the key properties of 2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile?
2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile has a molecular weight of 179.19 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile is sourced from PubChem (CID 84767792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).