1-chloro-3-ethyl-2-fluorobenzene;1-methyl-2-(trifluoromethyl)benzene

C16H15ClF4 — CID 143923368

IUPAC1-chloro-3-ethyl-2-fluorobenzene;1-methyl-2-(trifluoromethyl)benzene
SMILESCCc1cccc(Cl)c1F.Cc1ccccc1C(F)(F)F
InChIInChI=1S/C8H8ClF.C8H7F3/c1-2-6-4-3-5-7(9)8(6)10;1-6-4-2-3-5-7(6)8(9,10)11/h3-5H,2H2,1H3;2-5H,1H3
InChIKeyWJWIDEXPMASEIK-UHFFFAOYSA-N
MW318.74 g/mol
LogP6.06
Rot. Bonds1

About 1-chloro-3-ethyl-2-fluorobenzene;1-methyl-2-(trifluoromethyl)benzene

1-chloro-3-ethyl-2-fluorobenzene;1-methyl-2-(trifluoromethyl)benzene (PubChem CID 143923368) has the molecular formula C16H15ClF4 and a molecular weight of 318.74 g/mol. Its IUPAC name is 1-chloro-3-ethyl-2-fluorobenzene;1-methyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-ethyl-2-fluorobenzene;1-methyl-2-(trifluoromethyl)benzene
PubChem CID143923368
Molecular FormulaC16H15ClF4
Molecular Weight318.74 g/mol
Exact Mass318.08
IUPAC Name1-chloro-3-ethyl-2-fluorobenzene;1-methyl-2-(trifluoromethyl)benzene
SMILESCCc1cccc(Cl)c1F.Cc1ccccc1C(F)(F)F
InChIInChI=1S/C8H8ClF.C8H7F3/c1-2-6-4-3-5-7(9)8(6)10;1-6-4-2-3-5-7(6)8(9,10)11/h3-5H,2H2,1H3;2-5H,1H3
InChIKeyWJWIDEXPMASEIK-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.74
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-chloro-2-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 115656735
1-chloro-3-ethyl-2-(trifluoromethyl)benzene
CID 71072896
1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene
CID 130411639
1-(3-chloro-2-fluorophenyl)-3-(2-methylphenyl)propan-2-ol
CID 82803418
1-chloro-2-fluoro-3-methylbenzene;diiodozinc
CID 174784139
2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 102856635
1,3-diethyl-2-(trifluoromethyl)benzene
CID 91552460
2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 102858638
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 82802598
2-tert-butyl-N-[(3-chloro-2-fluorophenyl)methyl]aniline
CID 114487326
1-(3-chloro-2-fluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-ene-2-sulfonic acid
CID 141497498
4-[(3-chloro-2-fluorophenyl)methyl]heptan-4-ol
CID 102857067

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-ethyl-2-fluorobenzene;1-methyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-3-ethyl-2-fluorobenzene;1-methyl-2-(trifluoromethyl)benzene (CID 143923368) is 1-chloro-3-ethyl-2-fluorobenzene;1-methyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-3-ethyl-2-fluorobenzene;1-methyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-3-ethyl-2-fluorobenzene;1-methyl-2-(trifluoromethyl)benzene is CCc1cccc(Cl)c1F.Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-chloro-3-ethyl-2-fluorobenzene;1-methyl-2-(trifluoromethyl)benzene?
The InChIKey is WJWIDEXPMASEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF.C8H7F3/c1-2-6-4-3-5-7(9)8(6)10;1-6-4-2-3-5-7(6)8(9,10)11/h3-5H,2H2,1H3;2-5H,1H3.
What are the key properties of 1-chloro-3-ethyl-2-fluorobenzene;1-methyl-2-(trifluoromethyl)benzene?
1-chloro-3-ethyl-2-fluorobenzene;1-methyl-2-(trifluoromethyl)benzene has a molecular weight of 318.74 g/mol, XLogP of 6.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-ethyl-2-fluorobenzene;1-methyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 143923368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).