2-(3-fluoro-4-methoxy-5-methylphenyl)acetonitrile

C10H10FNO — CID 84767810

IUPAC2-(3-fluoro-4-methoxy-5-methylphenyl)acetonitrile
SMILESCOc1c(C)cc(CC#N)cc1F
InChIInChI=1S/C10H10FNO/c1-7-5-8(3-4-12)6-9(11)10(7)13-2/h5-6H,3H2,1-2H3
InChIKeyXLMGOSXXRCGLKR-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.21
Rot. Bonds2

About 2-(3-fluoro-4-methoxy-5-methylphenyl)acetonitrile

2-(3-fluoro-4-methoxy-5-methylphenyl)acetonitrile (PubChem CID 84767810) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxy-5-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxy-5-methylphenyl)acetonitrile
PubChem CID84767810
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name2-(3-fluoro-4-methoxy-5-methylphenyl)acetonitrile
SMILESCOc1c(C)cc(CC#N)cc1F
InChIInChI=1S/C10H10FNO/c1-7-5-8(3-4-12)6-9(11)10(7)13-2/h5-6H,3H2,1-2H3
InChIKeyXLMGOSXXRCGLKR-UHFFFAOYSA-N
XLogP2.21
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-3,5-dimethylphenyl)acetonitrile
CID 45091198
methyl 5-(cyanomethyl)-3-fluoro-2-methoxybenzoate
CID 117319076
2-(4-bromo-3-fluoro-5-methylphenyl)acetonitrile
CID 171007705
O-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine
CID 117280138
2-(5-fluoro-2-methoxy-3-methylphenyl)acetonitrile
CID 84767808
2-(5-fluoro-3,4-dimethoxy-2-methylphenyl)acetonitrile
CID 117298346
2-[4-(difluoromethoxy)-3,5-difluorophenyl]acetonitrile
CID 18627186
2-(3,5-diiodo-4-methoxyphenyl)acetonitrile
CID 90143526
2-(4-chloro-3-methoxy-5-methylphenyl)acetonitrile
CID 84773818
2-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)acetonitrile
CID 84805658
2-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)acetonitrile
CID 117284972
2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)acetonitrile
CID 84783001

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxy-5-methylphenyl)acetonitrile?
The IUPAC name of 2-(3-fluoro-4-methoxy-5-methylphenyl)acetonitrile (CID 84767810) is 2-(3-fluoro-4-methoxy-5-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(3-fluoro-4-methoxy-5-methylphenyl)acetonitrile?
The canonical SMILES for 2-(3-fluoro-4-methoxy-5-methylphenyl)acetonitrile is COc1c(C)cc(CC#N)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxy-5-methylphenyl)acetonitrile?
The InChIKey is XLMGOSXXRCGLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-7-5-8(3-4-12)6-9(11)10(7)13-2/h5-6H,3H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxy-5-methylphenyl)acetonitrile?
2-(3-fluoro-4-methoxy-5-methylphenyl)acetonitrile has a molecular weight of 179.19 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxy-5-methylphenyl)acetonitrile is sourced from PubChem (CID 84767810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).