1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene

C10H9ClF4 — CID 166584137

IUPAC1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene
SMILESCC(C)c1cc(F)c(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H9ClF4/c1-5(2)6-3-9(12)7(4-8(6)11)10(13,14)15/h3-5H,1-2H3
InChIKeyRPEISUUQRUQMKM-UHFFFAOYSA-N
MW240.63 g/mol
LogP4.62
Rot. Bonds1

About 1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene

1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene (PubChem CID 166584137) has the molecular formula C10H9ClF4 and a molecular weight of 240.63 g/mol. Its IUPAC name is 1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene
PubChem CID166584137
Molecular FormulaC10H9ClF4
Molecular Weight240.63 g/mol
Exact Mass240.03
IUPAC Name1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene
SMILESCC(C)c1cc(F)c(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H9ClF4/c1-5(2)6-3-9(12)7(4-8(6)11)10(13,14)15/h3-5H,1-2H3
InChIKeyRPEISUUQRUQMKM-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.63
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-chloro-5-propan-2-yl-2-(trifluoromethyl)benzonitrile
CID 166584222
1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene
CID 59135078
1-tert-butyl-5-chloro-2-fluoro-4-(1-methylsulfanylpropan-2-yl)benzene
CID 146522765
1-chloro-2-fluoro-5-methyl-4-propan-2-ylbenzene
CID 89042386
ethane;2-fluoro-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 144749638
1,5-dichloro-2-(3-methylbutan-2-yl)-4-(trifluoromethyl)benzene
CID 58427452
fluoromethane;1-fluoro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)benzene
CID 177009893
2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 135179269
1-chloro-2-fluoro-5-propan-2-yl-3-(trifluoromethyl)benzene
CID 154959566
1-chloro-4-ethynyl-5-fluoro-2-propan-2-ylbenzene
CID 170270449
3-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-ol;ethane
CID 142545016
1-(5-chloro-2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine
CID 166090717

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene (CID 166584137) is 1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene is CC(C)c1cc(F)c(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene?
The InChIKey is RPEISUUQRUQMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4/c1-5(2)6-3-9(12)7(4-8(6)11)10(13,14)15/h3-5H,1-2H3.
What are the key properties of 1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene?
1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene has a molecular weight of 240.63 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 166584137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).