3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol

C9H8ClF3O — CID 54592855

IUPAC3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESOC(Cc1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C9H8ClF3O/c10-7-3-1-6(2-4-7)5-8(14)9(11,12)13/h1-4,8,14H,5H2
InChIKeyIYYUIIVBJNRBSG-UHFFFAOYSA-N
MW224.61 g/mol
LogP2.81
Rot. Bonds2

About 3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol

3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 54592855) has the molecular formula C9H8ClF3O and a molecular weight of 224.61 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID54592855
Molecular FormulaC9H8ClF3O
Molecular Weight224.61 g/mol
Exact Mass224.02
IUPAC Name3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESOC(Cc1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C9H8ClF3O/c10-7-3-1-6(2-4-7)5-8(14)9(11,12)13/h1-4,8,14H,5H2
InChIKeyIYYUIIVBJNRBSG-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Chloro-beta-(4-chlorophenyl)benzeneethanol
CID 17533
4,4'-Dichlorobenzhydrol
CID 7033
4-Chlorobenzhydrol
CID 8401
Benzenemethanol, 4-chloro-alpha-methyl-
CID 18825
p-Chlorophenethylic alcohol
CID 74647
Benzenemethanol, 4-chloro-alpha-(1-methylethyl)-
CID 202426
4-Chloro-alpha-(trichloromethyl)benzenemethanol
CID 21417
4-Chloro-alpha,alpha-dimethylbenzeneethanol
CID 79609
4-Chloro-alpha-ethylbenzenemethanol
CID 83774
4-Chloro-alpha-cyclopropylbenzenemethanol
CID 86679
1-(4-Chlorophenyl)ethane-1,2-diol
CID 101107
1-Chloro-3-phenyl-2-propanol
CID 220867

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol (CID 54592855) is 3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol is OC(Cc1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is IYYUIIVBJNRBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O/c10-7-3-1-6(2-4-7)5-8(14)9(11,12)13/h1-4,8,14H,5H2.
What are the key properties of 3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 224.61 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 54592855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).