1-(5-chloro-2-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol

C11H12ClF3O2 — CID 83953956

IUPAC1-(5-chloro-2-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol
SMILESCC(C)Oc1ccc(Cl)cc1C(O)C(F)(F)F
InChIInChI=1S/C11H12ClF3O2/c1-6(2)17-9-4-3-7(12)5-8(9)10(16)11(13,14)15/h3-6,10,16H,1-2H3
InChIKeyYJNXMCBQCSCTBO-UHFFFAOYSA-N
MW268.66 g/mol
LogP3.72
Rot. Bonds3

About 1-(5-chloro-2-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol

1-(5-chloro-2-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol (PubChem CID 83953956) has the molecular formula C11H12ClF3O2 and a molecular weight of 268.66 g/mol. Its IUPAC name is 1-(5-chloro-2-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(5-chloro-2-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol
PubChem CID83953956
Molecular FormulaC11H12ClF3O2
Molecular Weight268.66 g/mol
Exact Mass268.05
IUPAC Name1-(5-chloro-2-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol
SMILESCC(C)Oc1ccc(Cl)cc1C(O)C(F)(F)F
InChIInChI=1S/C11H12ClF3O2/c1-6(2)17-9-4-3-7(12)5-8(9)10(16)11(13,14)15/h3-6,10,16H,1-2H3
InChIKeyYJNXMCBQCSCTBO-UHFFFAOYSA-N
XLogP3.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol
CID 83953043
2-amino-2-(5-chloro-2-propan-2-yloxyphenyl)acetaldehyde;hydrochloride
CID 87888258
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 65190623
1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol
CID 64769915
(1S)-1-(5-chloro-2-pentan-2-yloxyphenyl)ethanol
CID 107892259
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 56971852
4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene
CID 18741298
1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 66511237
4-chloro-1-iodo-2-propan-2-yloxybenzene
CID 142659279
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171244636
2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 124704375

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(5-chloro-2-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol (CID 83953956) is 1-(5-chloro-2-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(5-chloro-2-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(5-chloro-2-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol is CC(C)Oc1ccc(Cl)cc1C(O)C(F)(F)F.
What is the InChIKey of 1-(5-chloro-2-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol?
The InChIKey is YJNXMCBQCSCTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3O2/c1-6(2)17-9-4-3-7(12)5-8(9)10(16)11(13,14)15/h3-6,10,16H,1-2H3.
What are the key properties of 1-(5-chloro-2-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol?
1-(5-chloro-2-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol has a molecular weight of 268.66 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 83953956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).