4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene

C11H12ClF3O — CID 18741298

IUPAC4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene
SMILESCC(C)c1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C11H12ClF3O/c1-7(2)9-5-8(12)3-4-10(9)16-6-11(13,14)15/h3-5,7H,6H2,1-2H3
InChIKeyWHVFBVBNGNXXQL-UHFFFAOYSA-N
MW252.66 g/mol
LogP4.40
Rot. Bonds3

About 4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene

4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene (PubChem CID 18741298) has the molecular formula C11H12ClF3O and a molecular weight of 252.66 g/mol. Its IUPAC name is 4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene
PubChem CID18741298
Molecular FormulaC11H12ClF3O
Molecular Weight252.66 g/mol
Exact Mass252.05
IUPAC Name4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene
SMILESCC(C)c1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C11H12ClF3O/c1-7(2)9-5-8(12)3-4-10(9)16-6-11(13,14)15/h3-5,7H,6H2,1-2H3
InChIKeyWHVFBVBNGNXXQL-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride
CID 43247068
(1R)-1-[5-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine
CID 78932807
5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 154968259
[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-oxoazanium
CID 154675748
2-(2-bromoethyl)-4-chloro-1-(2,2,2-trifluoroethoxy)benzene
CID 135154916
2-fluoro-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)benzene
CID 174349481
[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 86725584
3-[4-chloro-2-(1-hydroxyethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79624025
1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 110891123
methyl 3-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-2,2-dimethylpropanoate
CID 79624639
2-[1-bromo-3-(2,2,2-trifluoroethoxy)propyl]-4-chloro-1-methoxybenzene
CID 103211396
4-chloro-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 61379733

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene (CID 18741298) is 4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene is CC(C)c1cc(Cl)ccc1OCC(F)(F)F.
What is the InChIKey of 4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is WHVFBVBNGNXXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3O/c1-7(2)9-5-8(12)3-4-10(9)16-6-11(13,14)15/h3-5,7H,6H2,1-2H3.
What are the key properties of 4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene?
4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 252.66 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 18741298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).