chloromethane;2-fluoro-1,3-dimethylbenzene

C9H12ClF — CID 144572529

IUPACchloromethane;2-fluoro-1,3-dimethylbenzene
SMILESCCl.Cc1cccc(C)c1F
InChIInChI=1S/C8H9F.CH3Cl/c1-6-4-3-5-7(2)8(6)9;1-2/h3-5H,1-2H3;1H3
InChIKeyJYJLCCMWXQOPHE-UHFFFAOYSA-N
MW174.65 g/mol
LogP3.30
Rot. Bonds

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

chloromethane;2-fluoro-1,3-dimethylbenzene (PubChem CID 144572529) has the molecular formula C9H12ClF and a molecular weight of 174.65 g/mol. Its IUPAC name is chloromethane;2-fluoro-1,3-dimethylbenzene.

Molecular Properties

Compound Namechloromethane;2-fluoro-1,3-dimethylbenzene
PubChem CID144572529
Molecular FormulaC9H12ClF
Molecular Weight174.65 g/mol
Exact Mass174.06
IUPAC Namechloromethane;2-fluoro-1,3-dimethylbenzene
SMILESCCl.Cc1cccc(C)c1F
InChIInChI=1S/C8H9F.CH3Cl/c1-6-4-3-5-7(2)8(6)9;1-2/h3-5H,1-2H3;1H3
InChIKeyJYJLCCMWXQOPHE-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.65
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,2-difluoro-3-methylbenzene;vanadium
CID 170603843
1-chloro-2-fluoro-3-methylbenzene;diiodozinc
CID 174784139
1-(1,1-difluoroethyl)-2-fluoro-3-methylbenzene;ethane
CID 165398651
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
2-fluoro-N,3-dimethylaniline
CID 50998713
CID 70513358
CID 70513358
1-ethenoxy-2-fluoro-3-methylbenzene
CID 107657650
2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene
CID 134560935
1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane
CID 164564324
(2-fluoro-3-methylphenyl)hydrazine
CID 55280946
2-(2-fluoro-3-methylphenyl)-2-methylpropan-1-amine
CID 83696433
(4-chlorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477274

Frequently Asked Questions

What is the IUPAC name of chloromethane;2-fluoro-1,3-dimethylbenzene?
The IUPAC name of chloromethane;2-fluoro-1,3-dimethylbenzene (CID 144572529) is chloromethane;2-fluoro-1,3-dimethylbenzene.
What is the SMILES notation for chloromethane;2-fluoro-1,3-dimethylbenzene?
The canonical SMILES for chloromethane;2-fluoro-1,3-dimethylbenzene is CCl.Cc1cccc(C)c1F.
What is the InChIKey of chloromethane;2-fluoro-1,3-dimethylbenzene?
The InChIKey is JYJLCCMWXQOPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.CH3Cl/c1-6-4-3-5-7(2)8(6)9;1-2/h3-5H,1-2H3;1H3.
What are the key properties of chloromethane;2-fluoro-1,3-dimethylbenzene?
chloromethane;2-fluoro-1,3-dimethylbenzene has a molecular weight of 174.65 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;2-fluoro-1,3-dimethylbenzene is sourced from PubChem (CID 144572529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).