1,5-dichloro-3-fluoro-2-methylbenzene;ethane

C9H11Cl2F — CID 142574555

IUPAC1,5-dichloro-3-fluoro-2-methylbenzene;ethane
SMILESCC.Cc1c(F)cc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl2F.C2H6/c1-4-6(9)2-5(8)3-7(4)10;1-2/h2-3H,1H3;1-2H3
InChIKeyGRZZIQWHLUEHKS-UHFFFAOYSA-N
MW209.09 g/mol
LogP4.47
Rot. Bonds

About 1,5-dichloro-3-fluoro-2-methylbenzene;ethane

1,5-dichloro-3-fluoro-2-methylbenzene;ethane (PubChem CID 142574555) has the molecular formula C9H11Cl2F and a molecular weight of 209.09 g/mol. Its IUPAC name is 1,5-dichloro-3-fluoro-2-methylbenzene;ethane.

Molecular Properties

Compound Name1,5-dichloro-3-fluoro-2-methylbenzene;ethane
PubChem CID142574555
Molecular FormulaC9H11Cl2F
Molecular Weight209.09 g/mol
Exact Mass208.02
IUPAC Name1,5-dichloro-3-fluoro-2-methylbenzene;ethane
SMILESCC.Cc1c(F)cc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl2F.C2H6/c1-4-6(9)2-5(8)3-7(4)10;1-2/h2-3H,1H3;1-2H3
InChIKeyGRZZIQWHLUEHKS-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.09
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-chloro-3-fluoro-2-methylaniline
CID 18727792
1-chloro-5-(difluoromethyl)-3-fluoro-2-methylbenzene
CID 131169868
1-chloro-3-fluoro-5-(fluoromethyl)-2-methylbenzene
CID 131073233
3-chloro-5-fluoro-4-methylbenzoyl chloride
CID 130777927
1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene
CID 125116033
2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
CID 117290502
1-bromo-3,5-dichloro-2-methylbenzene
CID 10263661
1,5-dichloro-3-fluoro-2-iodobenzene
CID 50998607
1,3,5-trichloro-2-[(3,5-difluoro-4-methylphenyl)methoxy]benzene
CID 142198486
1,5-dichloro-2-(difluoromethyl)-3-fluorobenzene
CID 119004483
2-chloro-1-fluoro-4-methylbenzene;ethane
CID 142940012
1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
CID 117290522

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-3-fluoro-2-methylbenzene;ethane?
The IUPAC name of 1,5-dichloro-3-fluoro-2-methylbenzene;ethane (CID 142574555) is 1,5-dichloro-3-fluoro-2-methylbenzene;ethane.
What is the SMILES notation for 1,5-dichloro-3-fluoro-2-methylbenzene;ethane?
The canonical SMILES for 1,5-dichloro-3-fluoro-2-methylbenzene;ethane is CC.Cc1c(F)cc(Cl)cc1Cl.
What is the InChIKey of 1,5-dichloro-3-fluoro-2-methylbenzene;ethane?
The InChIKey is GRZZIQWHLUEHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F.C2H6/c1-4-6(9)2-5(8)3-7(4)10;1-2/h2-3H,1H3;1-2H3.
What are the key properties of 1,5-dichloro-3-fluoro-2-methylbenzene;ethane?
1,5-dichloro-3-fluoro-2-methylbenzene;ethane has a molecular weight of 209.09 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-3-fluoro-2-methylbenzene;ethane is sourced from PubChem (CID 142574555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).