(2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-ol

C10H10BrF3O — CID 102382269

IUPAC(2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-ol
SMILESCC[C@@](O)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C10H10BrF3O/c1-2-9(15,10(12,13)14)7-3-5-8(11)6-4-7/h3-6,15H,2H2,1H3/t9-/m1/s1
InChIKeyYVEKDYUXTVECRA-SECBINFHSA-N
MW283.09 g/mol
LogP3.61
Rot. Bonds2

About (2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-ol

(2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-ol (PubChem CID 102382269) has the molecular formula C10H10BrF3O and a molecular weight of 283.09 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-ol
PubChem CID102382269
Molecular FormulaC10H10BrF3O
Molecular Weight283.09 g/mol
Exact Mass281.99
IUPAC Name(2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-ol
SMILESCC[C@@](O)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C10H10BrF3O/c1-2-9(15,10(12,13)14)7-3-5-8(11)6-4-7/h3-6,15H,2H2,1H3/t9-/m1/s1
InChIKeyYVEKDYUXTVECRA-SECBINFHSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-Bromophenyl)ethanol
CID 95352
p-Bromobenzhydryl alcohol
CID 98221
(4-Bromophenyl)(cyclopropyl)methanol
CID 123566
2-(2-Bromophenyl)propan-2-ol
CID 329527
2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 23527396
Bis(4-bromophenyl)(phenyl)methanol
CID 4152948
1-(4-Bromophenyl)-2-methylpropan-2-ol
CID 316785
1-(3-Bromophenyl)-2,2,2-trifluoroethan-1-ol
CID 23423062
4-Bromo-alpha-propylbenzenemethanol
CID 90739
(1S)-1-(4-bromophenyl)ethan-1-ol
CID 2734890
1-(4-Bromophenyl)-2,2,2-trifluoroethanol
CID 11219024
2-(4-Bromophenyl)propan-2-ol
CID 12681920

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-ol?
The IUPAC name of (2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-ol (CID 102382269) is (2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for (2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for (2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-ol is CC[C@@](O)(c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of (2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-ol?
The InChIKey is YVEKDYUXTVECRA-SECBINFHSA-N. The full InChI is InChI=1S/C10H10BrF3O/c1-2-9(15,10(12,13)14)7-3-5-8(11)6-4-7/h3-6,15H,2H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-ol?
(2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-ol has a molecular weight of 283.09 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 102382269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).