1-(3-bromophenyl)-2-chloro-2,2-difluoroethanol

C8H6BrClF2O — CID 143865225

IUPAC1-(3-bromophenyl)-2-chloro-2,2-difluoroethanol
SMILESOC(c1cccc(Br)c1)C(F)(F)Cl
InChIInChI=1S/C8H6BrClF2O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4,7,13H
InChIKeySWWFONPWVVBFRK-UHFFFAOYSA-N
MW271.49 g/mol
LogP3.31
Rot. Bonds2

About 1-(3-bromophenyl)-2-chloro-2,2-difluoroethanol

1-(3-bromophenyl)-2-chloro-2,2-difluoroethanol (PubChem CID 143865225) has the molecular formula C8H6BrClF2O and a molecular weight of 271.49 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-chloro-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-chloro-2,2-difluoroethanol
PubChem CID143865225
Molecular FormulaC8H6BrClF2O
Molecular Weight271.49 g/mol
Exact Mass269.93
IUPAC Name1-(3-bromophenyl)-2-chloro-2,2-difluoroethanol
SMILESOC(c1cccc(Br)c1)C(F)(F)Cl
InChIInChI=1S/C8H6BrClF2O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4,7,13H
InChIKeySWWFONPWVVBFRK-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 53.31
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

1-(3-bromophenyl)-2,2,2-trifluoroethanol
CID 23423062
(3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105393805
1-(3-bromophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol
CID 156764796
(5S,6S)-6-(3-bromophenyl)-1,1,1-trifluoro-5,6-dihydroxyhexan-2-one
CID 158949702
(S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol
CID 94601821
(3R)-3-amino-3-(3-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171239255
1-(3-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914390
2-(3-bromophenyl)-2-hydroxyacetic acid
CID 2757028
3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol
CID 81381755
(3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61082620
(R)-(3-bromophenyl)-(3-chloro-2-methylphenyl)methanol
CID 97293535
(3-bromophenyl)-(2-methylphenyl)methanol
CID 60798541

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-chloro-2,2-difluoroethanol?
The IUPAC name of 1-(3-bromophenyl)-2-chloro-2,2-difluoroethanol (CID 143865225) is 1-(3-bromophenyl)-2-chloro-2,2-difluoroethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-chloro-2,2-difluoroethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-chloro-2,2-difluoroethanol is OC(c1cccc(Br)c1)C(F)(F)Cl.
What is the InChIKey of 1-(3-bromophenyl)-2-chloro-2,2-difluoroethanol?
The InChIKey is SWWFONPWVVBFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClF2O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4,7,13H.
What are the key properties of 1-(3-bromophenyl)-2-chloro-2,2-difluoroethanol?
1-(3-bromophenyl)-2-chloro-2,2-difluoroethanol has a molecular weight of 271.49 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-chloro-2,2-difluoroethanol is sourced from PubChem (CID 143865225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).