(1R)-1-(2-bromophenyl)-2,2-dichloro-3,3,3-trifluoropropan-1-ol

C9H6BrCl2F3O — CID 7055498

IUPAC(1R)-1-(2-bromophenyl)-2,2-dichloro-3,3,3-trifluoropropan-1-ol
SMILESO[C@H](c1ccccc1Br)C(Cl)(Cl)C(F)(F)F
InChIInChI=1S/C9H6BrCl2F3O/c10-6-4-2-1-3-5(6)7(16)8(11,12)9(13,14)15/h1-4,7,16H/t7-/m1/s1
InChIKeyYYCKRUDDFXWNPC-SSDOTTSWSA-N
MW337.95 g/mol
LogP4.22
Rot. Bonds2

About (1R)-1-(2-bromophenyl)-2,2-dichloro-3,3,3-trifluoropropan-1-ol

(1R)-1-(2-bromophenyl)-2,2-dichloro-3,3,3-trifluoropropan-1-ol (PubChem CID 7055498) has the molecular formula C9H6BrCl2F3O and a molecular weight of 337.95 g/mol. Its IUPAC name is (1R)-1-(2-bromophenyl)-2,2-dichloro-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name(1R)-1-(2-bromophenyl)-2,2-dichloro-3,3,3-trifluoropropan-1-ol
PubChem CID7055498
Molecular FormulaC9H6BrCl2F3O
Molecular Weight337.95 g/mol
Exact Mass335.89
IUPAC Name(1R)-1-(2-bromophenyl)-2,2-dichloro-3,3,3-trifluoropropan-1-ol
SMILESO[C@H](c1ccccc1Br)C(Cl)(Cl)C(F)(F)F
InChIInChI=1S/C9H6BrCl2F3O/c10-6-4-2-1-3-5(6)7(16)8(11,12)9(13,14)15/h1-4,7,16H/t7-/m1/s1
InChIKeyYYCKRUDDFXWNPC-SSDOTTSWSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.95
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromophenyl)-2,2-difluoro-3-hydroxypropanenitrile
CID 62706757
1-(2-bromophenyl)-2,2-difluorobut-3-en-1-ol
CID 10945258
1-(2-bromophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol
CID 156765992
1-(2-bromophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctan-1-ol
CID 162347557
(1S)-1-(2-bromophenyl)ethanol
CID 6950331
(1S)-1-(2-bromophenyl)ethanol
CID 139073913
(2-bromophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 62791669
(1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanol
CID 95240913
2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid
CID 84812531
(E,1S)-1-(2-bromophenyl)-4,4-dimethylpent-2-en-1-ol
CID 11254199
2,2-dibromo-1-(2-chlorophenyl)-2-fluoroethanol
CID 165441420
methyl (3R)-3-(2-bromophenyl)-3-hydroxy-2,2-dimethylpropanoate
CID 102280536

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromophenyl)-2,2-dichloro-3,3,3-trifluoropropan-1-ol?
The IUPAC name of (1R)-1-(2-bromophenyl)-2,2-dichloro-3,3,3-trifluoropropan-1-ol (CID 7055498) is (1R)-1-(2-bromophenyl)-2,2-dichloro-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for (1R)-1-(2-bromophenyl)-2,2-dichloro-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for (1R)-1-(2-bromophenyl)-2,2-dichloro-3,3,3-trifluoropropan-1-ol is O[C@H](c1ccccc1Br)C(Cl)(Cl)C(F)(F)F.
What is the InChIKey of (1R)-1-(2-bromophenyl)-2,2-dichloro-3,3,3-trifluoropropan-1-ol?
The InChIKey is YYCKRUDDFXWNPC-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H6BrCl2F3O/c10-6-4-2-1-3-5(6)7(16)8(11,12)9(13,14)15/h1-4,7,16H/t7-/m1/s1.
What are the key properties of (1R)-1-(2-bromophenyl)-2,2-dichloro-3,3,3-trifluoropropan-1-ol?
(1R)-1-(2-bromophenyl)-2,2-dichloro-3,3,3-trifluoropropan-1-ol has a molecular weight of 337.95 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromophenyl)-2,2-dichloro-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 7055498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).