2-(3-fluoro-2-methoxyphenyl)acetonitrile

C9H8FNO — CID 46737695

IUPAC2-(3-fluoro-2-methoxyphenyl)acetonitrile
SMILESCOc1c(F)cccc1CC#N
InChIInChI=1S/C9H8FNO/c1-12-9-7(5-6-11)3-2-4-8(9)10/h2-4H,5H2,1H3
InChIKeyBJLRKDHTBLBCFT-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.90
Rot. Bonds2

About 2-(3-fluoro-2-methoxyphenyl)acetonitrile

2-(3-fluoro-2-methoxyphenyl)acetonitrile (PubChem CID 46737695) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-(3-fluoro-2-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-fluoro-2-methoxyphenyl)acetonitrile
PubChem CID46737695
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name2-(3-fluoro-2-methoxyphenyl)acetonitrile
SMILESCOc1c(F)cccc1CC#N
InChIInChI=1S/C9H8FNO/c1-12-9-7(5-6-11)3-2-4-8(9)10/h2-4H,5H2,1H3
InChIKeyBJLRKDHTBLBCFT-UHFFFAOYSA-N
XLogP1.90
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile
CID 84767792
2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile
CID 20513415
2-(5-fluoro-3,4-dimethoxy-2-methylphenyl)acetonitrile
CID 117298346
1-(3-bromopropyl)-3-fluoro-2-methoxybenzene
CID 118853515
2-[4-(2,3-difluorophenyl)-2-methoxyphenyl]acetonitrile
CID 175670200
2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile
CID 131869127
2-(3-fluoro-2,4,5-trimethoxyphenyl)acetonitrile
CID 117322895
2-(3-fluoro-2-methoxy-5-nitrophenyl)acetonitrile
CID 117299777
2-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)acetonitrile
CID 117284972
2-(5-fluoro-2-methoxy-3-methylphenyl)acetonitrile
CID 84767808
2-[5-(2-chloro-3-fluorophenyl)-2-methoxyphenyl]acetonitrile
CID 175670261
2-[2-methoxy-3-(thian-4-yloxy)phenyl]acetonitrile
CID 117413381

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methoxyphenyl)acetonitrile?
The IUPAC name of 2-(3-fluoro-2-methoxyphenyl)acetonitrile (CID 46737695) is 2-(3-fluoro-2-methoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(3-fluoro-2-methoxyphenyl)acetonitrile?
The canonical SMILES for 2-(3-fluoro-2-methoxyphenyl)acetonitrile is COc1c(F)cccc1CC#N.
What is the InChIKey of 2-(3-fluoro-2-methoxyphenyl)acetonitrile?
The InChIKey is BJLRKDHTBLBCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-12-9-7(5-6-11)3-2-4-8(9)10/h2-4H,5H2,1H3.
What are the key properties of 2-(3-fluoro-2-methoxyphenyl)acetonitrile?
2-(3-fluoro-2-methoxyphenyl)acetonitrile has a molecular weight of 165.17 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methoxyphenyl)acetonitrile is sourced from PubChem (CID 46737695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).