1-chloro-2-fluoro-4-methylbenzene;propane

C10H14ClF — CID 154658085

IUPAC1-chloro-2-fluoro-4-methylbenzene;propane
SMILESCCC.Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C7H6ClF.C3H8/c1-5-2-3-6(8)7(9)4-5;1-3-2/h2-4H,1H3;3H2,1-2H3
InChIKeyJVFIZAOSZBZASC-UHFFFAOYSA-N
MW188.67 g/mol
LogP4.20
Rot. Bonds

About 1-chloro-2-fluoro-4-methylbenzene;propane

1-chloro-2-fluoro-4-methylbenzene;propane (PubChem CID 154658085) has the molecular formula C10H14ClF and a molecular weight of 188.67 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-methylbenzene;propane.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-methylbenzene;propane
PubChem CID154658085
Molecular FormulaC10H14ClF
Molecular Weight188.67 g/mol
Exact Mass188.08
IUPAC Name1-chloro-2-fluoro-4-methylbenzene;propane
SMILESCCC.Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C7H6ClF.C3H8/c1-5-2-3-6(8)7(9)4-5;1-3-2/h2-4H,1H3;3H2,1-2H3
InChIKeyJVFIZAOSZBZASC-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.67
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2-fluoro-1,4-dimethylbenzene;propane
CID 144971037
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
2-chloro-1-fluoro-4-methylbenzene;ethane
CID 142940012
1-chloro-2-ethylsulfanyl-4-methylbenzene
CID 91876402
1-chloro-4-ethyl-2-fluorobenzene;ethane
CID 143692245
1-chloro-2-fluoro-4-[2-(4-methylphenyl)ethynyl]benzene
CID 146002871
(4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 107998309
1,2-dichloro-4-[2-(2-fluoro-4-methylphenyl)ethyl]benzene
CID 164873635
butan-2-one;2-chloro-1-fluoro-4-methylbenzene
CID 144845866
2-chloro-1,4-dimethylbenzene;propane;1,1,1-trifluoroethane
CID 142937628
2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-5-methylaniline
CID 82761517
1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one
CID 107890911

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-methylbenzene;propane?
The IUPAC name of 1-chloro-2-fluoro-4-methylbenzene;propane (CID 154658085) is 1-chloro-2-fluoro-4-methylbenzene;propane.
What is the SMILES notation for 1-chloro-2-fluoro-4-methylbenzene;propane?
The canonical SMILES for 1-chloro-2-fluoro-4-methylbenzene;propane is CCC.Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-chloro-2-fluoro-4-methylbenzene;propane?
The InChIKey is JVFIZAOSZBZASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF.C3H8/c1-5-2-3-6(8)7(9)4-5;1-3-2/h2-4H,1H3;3H2,1-2H3.
What are the key properties of 1-chloro-2-fluoro-4-methylbenzene;propane?
1-chloro-2-fluoro-4-methylbenzene;propane has a molecular weight of 188.67 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-methylbenzene;propane is sourced from PubChem (CID 154658085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).