1-chloro-3-fluoro-2-methylbenzene

C7H6ClF — CID 9933

IUPAC1-chloro-3-fluoro-2-methylbenzene
SMILESCc1c(F)cccc1Cl
InChIInChI=1S/C7H6ClF/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
InChIKeyFNPVYRJTBXHIPB-UHFFFAOYSA-N
MW144.58 g/mol
LogP2.79
Rot. Bonds

About 1-chloro-3-fluoro-2-methylbenzene

1-chloro-3-fluoro-2-methylbenzene (PubChem CID 9933) has the molecular formula C7H6ClF and a molecular weight of 144.58 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-methylbenzene
PubChem CID9933
Molecular FormulaC7H6ClF
Molecular Weight144.58 g/mol
Exact Mass144.01
IUPAC Name1-chloro-3-fluoro-2-methylbenzene
SMILESCc1c(F)cccc1Cl
InChIInChI=1S/C7H6ClF/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
InChIKeyFNPVYRJTBXHIPB-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.58
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-Chlorotoluene
CID 7810
2,4-Dichlorotoluene
CID 7254
1-Chloro-4-(trifluoromethyl)benzene
CID 7394
2-Chlorotoluene
CID 7238
2-Chlorostyrene
CID 14906
3-Chlorotoluene
CID 7931
4-Chlorostyrene
CID 14085
1-Chloro-2-(trifluoromethyl)benzene
CID 6921
2,4-Dichlorobenzotrifluoride
CID 9443
2,5-Dichlorotoluene
CID 29572
2-Chlorobenzyl chloride
CID 11906
3-Chlorobenzotrifluoride
CID 7374

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-methylbenzene?
The IUPAC name of 1-chloro-3-fluoro-2-methylbenzene (CID 9933) is 1-chloro-3-fluoro-2-methylbenzene.
What is the SMILES notation for 1-chloro-3-fluoro-2-methylbenzene?
The canonical SMILES for 1-chloro-3-fluoro-2-methylbenzene is Cc1c(F)cccc1Cl.
What is the InChIKey of 1-chloro-3-fluoro-2-methylbenzene?
The InChIKey is FNPVYRJTBXHIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3.
What are the key properties of 1-chloro-3-fluoro-2-methylbenzene?
1-chloro-3-fluoro-2-methylbenzene has a molecular weight of 144.58 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-methylbenzene is sourced from PubChem (CID 9933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).