1-fluoro-2,3-dimethylbenzene;formonitrile

C9H10FN — CID 144500110

IUPAC1-fluoro-2,3-dimethylbenzene;formonitrile
SMILESC#N.Cc1cccc(F)c1C
InChIInChI=1S/C8H9F.CHN/c1-6-4-3-5-8(9)7(6)2;1-2/h3-5H,1-2H3;1H
InChIKeyYSVXBSXKWODNTH-UHFFFAOYSA-N
MW151.18 g/mol
LogP2.58
Rot. Bonds

About 1-fluoro-2,3-dimethylbenzene;formonitrile

1-fluoro-2,3-dimethylbenzene;formonitrile (PubChem CID 144500110) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is 1-fluoro-2,3-dimethylbenzene;formonitrile.

Molecular Properties

Compound Name1-fluoro-2,3-dimethylbenzene;formonitrile
PubChem CID144500110
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name1-fluoro-2,3-dimethylbenzene;formonitrile
SMILESC#N.Cc1cccc(F)c1C
InChIInChI=1S/C8H9F.CHN/c1-6-4-3-5-8(9)7(6)2;1-2/h3-5H,1-2H3;1H
InChIKeyYSVXBSXKWODNTH-UHFFFAOYSA-N
XLogP2.58
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-difluoro-2-methylbenzene;ethane;1,2-xylene
CID 142353819
1,2-difluoro-3-methylbenzene;vanadium
CID 170603843
acetylene;1-fluoro-2-methylbenzene
CID 175248306
1,3-difluoro-2-methylbenzene;2-methylpropane
CID 159186577
acetylene;ethane;1-fluoro-2-methylbenzene
CID 145259299
benzene;1,2,3-trimethylbenzene
CID 159605245
ethane;1,2,3-trimethylbenzene
CID 54068667
1,2-dimethyl-3-methyliodanuidylbenzene
CID 147524780
1,2-difluoro-3-(trifluoromethyl)benzene;propane;1,2,3-trimethylbenzene
CID 143472614
potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
ethane;1-fluoro-2-methylbenzene;methane
CID 143320188
ethane;2-fluoro-6-methylphenol
CID 162729094

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,3-dimethylbenzene;formonitrile?
The IUPAC name of 1-fluoro-2,3-dimethylbenzene;formonitrile (CID 144500110) is 1-fluoro-2,3-dimethylbenzene;formonitrile.
What is the SMILES notation for 1-fluoro-2,3-dimethylbenzene;formonitrile?
The canonical SMILES for 1-fluoro-2,3-dimethylbenzene;formonitrile is C#N.Cc1cccc(F)c1C.
What is the InChIKey of 1-fluoro-2,3-dimethylbenzene;formonitrile?
The InChIKey is YSVXBSXKWODNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.CHN/c1-6-4-3-5-8(9)7(6)2;1-2/h3-5H,1-2H3;1H.
What are the key properties of 1-fluoro-2,3-dimethylbenzene;formonitrile?
1-fluoro-2,3-dimethylbenzene;formonitrile has a molecular weight of 151.18 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,3-dimethylbenzene;formonitrile is sourced from PubChem (CID 144500110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).