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

C9H8BrF3O — CID 25146473

IUPAC3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
SMILESOC(Cc1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C9H8BrF3O/c10-7-3-1-6(2-4-7)5-8(14)9(11,12)13/h1-4,8,14H,5H2
InChIKeyNUQKLBWHNGSIIU-UHFFFAOYSA-N
MW269.06 g/mol
LogP2.91
Rot. Bonds2

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

3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 25146473) has the molecular formula C9H8BrF3O and a molecular weight of 269.06 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID25146473
Molecular FormulaC9H8BrF3O
Molecular Weight269.06 g/mol
Exact Mass267.97
IUPAC Name3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
SMILESOC(Cc1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C9H8BrF3O/c10-7-3-1-6(2-4-7)5-8(14)9(11,12)13/h1-4,8,14H,5H2
InChIKeyNUQKLBWHNGSIIU-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 94905407
1-(4-bromophenyl)-3,3-dimethylbutan-2-ol
CID 60798446
(2R)-3-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-ol
CID 94905405
2-(4-bromophenyl)-1-fluoroethanol
CID 163366125
(2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol
CID 96823406
2-(4-bromophenyl)ethane-1,1-diol
CID 54153595
1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64769134
1-(4-bromophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103311680
3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800052
(2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800606
1-(4-bromophenyl)-3-methyl-3-phenylbutan-2-ol
CID 63083837
2-[(4-bromophenyl)methyl]-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol
CID 89289925

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol (CID 25146473) is 3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol is OC(Cc1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of 3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is NUQKLBWHNGSIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3O/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-bromophenyl)-1,1,1-trifluoropropan-2-ol?
3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 269.06 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 25146473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).