1-chloro-2-fluoro-5-propan-2-yl-3-(trifluoromethyl)benzene

C10H9ClF4 — CID 154959566

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

About 1-chloro-2-fluoro-5-propan-2-yl-3-(trifluoromethyl)benzene

1-chloro-2-fluoro-5-propan-2-yl-3-(trifluoromethyl)benzene (PubChem CID 154959566) has the molecular formula C10H9ClF4 and a molecular weight of 240.63 g/mol. Its IUPAC name is 1-chloro-2-fluoro-5-propan-2-yl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-5-propan-2-yl-3-(trifluoromethyl)benzene
PubChem CID154959566
Molecular FormulaC10H9ClF4
Molecular Weight240.63 g/mol
Exact Mass240.03
IUPAC Name1-chloro-2-fluoro-5-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)c1cc(Cl)c(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF4/c1-5(2)6-3-7(10(13,14)15)9(12)8(11)4-6/h3-5H,1-2H3
InChIKeyDEXOVFPOLRSKSA-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

1,2-difluoro-5-propan-2-yl-3-(trifluoromethyl)benzene
CID 22945680
1-[3-chloro-4-fluoro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanol
CID 89152672
ethane;2-fluoro-5-propan-2-yl-3-(trifluoromethyl)aniline
CID 166546448
1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene
CID 155380246
2,5-di(propan-2-yl)-1,3-bis(trifluoromethyl)benzene
CID 88933481
1-chloro-2-fluoro-5-methyl-3-(trifluoromethyl)benzene;ethane
CID 145381877
5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene
CID 45358382
tert-butyl-[3-chloro-4-fluoro-5-(trifluoromethyl)phenoxy]-dimethylsilane
CID 125115885
1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 164997099
2-(2-methylpropyl)-5-propan-2-yl-1,3-bis(trifluoromethyl)benzene
CID 155459844
1,2,3-trichloro-5-propan-2-ylbenzene
CID 20811691
1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene
CID 166584137

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-5-propan-2-yl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-2-fluoro-5-propan-2-yl-3-(trifluoromethyl)benzene (CID 154959566) is 1-chloro-2-fluoro-5-propan-2-yl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2-fluoro-5-propan-2-yl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-2-fluoro-5-propan-2-yl-3-(trifluoromethyl)benzene is CC(C)c1cc(Cl)c(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-chloro-2-fluoro-5-propan-2-yl-3-(trifluoromethyl)benzene?
The InChIKey is DEXOVFPOLRSKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4/c1-5(2)6-3-7(10(13,14)15)9(12)8(11)4-6/h3-5H,1-2H3.
What are the key properties of 1-chloro-2-fluoro-5-propan-2-yl-3-(trifluoromethyl)benzene?
1-chloro-2-fluoro-5-propan-2-yl-3-(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-2-fluoro-5-propan-2-yl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 154959566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).