1-(fluoromethyl)-2,3-dimethylbenzene

C9H11F — CID 15724442

IUPAC1-(fluoromethyl)-2,3-dimethylbenzene
SMILESCc1cccc(CF)c1C
InChIInChI=1S/C9H11F/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,6H2,1-2H3
InChIKeyFWXBDZFPOLDDLN-UHFFFAOYSA-N
MW138.18 g/mol
LogP2.77
Rot. Bonds1

About 1-(fluoromethyl)-2,3-dimethylbenzene

1-(fluoromethyl)-2,3-dimethylbenzene (PubChem CID 15724442) has the molecular formula C9H11F and a molecular weight of 138.18 g/mol. Its IUPAC name is 1-(fluoromethyl)-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-(fluoromethyl)-2,3-dimethylbenzene
PubChem CID15724442
Molecular FormulaC9H11F
Molecular Weight138.18 g/mol
Exact Mass138.08
IUPAC Name1-(fluoromethyl)-2,3-dimethylbenzene
SMILESCc1cccc(CF)c1C
InChIInChI=1S/C9H11F/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,6H2,1-2H3
InChIKeyFWXBDZFPOLDDLN-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.18
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[[4-[(2,3-dimethylphenyl)methyl]phenyl]methyl]-2,3-dimethylbenzene
CID 123304206
acetylene;1-ethyl-2,3-dimethylbenzene
CID 174688234
1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene
CID 129042451
(2,3-dimethylphenyl)methanamine;hydrate;dihydrochloride
CID 67571488
1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene
CID 158943282
(2,3-dimethylphenyl)methyl-trimethylsilane
CID 71387326
1-[3-(fluoromethyl)-2-methylphenyl]ethanone
CID 118460978
1-[2-[2-(2,3-dimethylphenyl)ethoxy]ethyl]-2,3-dimethylbenzene
CID 139601612
1-(cyclopropylmethyl)-2,3-dimethylbenzene
CID 20690233
3-(fluoromethyl)-2-methylbenzoyl chloride
CID 141403868
1-(3-bromopropyl)-2,3-dimethylbenzene
CID 59407640
1,2-dimethyl-3-(3-methylbutyl)benzene
CID 86189898

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-2,3-dimethylbenzene?
The IUPAC name of 1-(fluoromethyl)-2,3-dimethylbenzene (CID 15724442) is 1-(fluoromethyl)-2,3-dimethylbenzene.
What is the SMILES notation for 1-(fluoromethyl)-2,3-dimethylbenzene?
The canonical SMILES for 1-(fluoromethyl)-2,3-dimethylbenzene is Cc1cccc(CF)c1C.
What is the InChIKey of 1-(fluoromethyl)-2,3-dimethylbenzene?
The InChIKey is FWXBDZFPOLDDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,6H2,1-2H3.
What are the key properties of 1-(fluoromethyl)-2,3-dimethylbenzene?
1-(fluoromethyl)-2,3-dimethylbenzene has a molecular weight of 138.18 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-2,3-dimethylbenzene is sourced from PubChem (CID 15724442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).