1-(3-bromo-2,6-difluorophenyl)-2-chloro-2,2-difluoroethanol

C8H4BrClF4O — CID 106942092

IUPAC1-(3-bromo-2,6-difluorophenyl)-2-chloro-2,2-difluoroethanol
SMILESOC(c1c(F)ccc(Br)c1F)C(F)(F)Cl
InChIInChI=1S/C8H4BrClF4O/c9-3-1-2-4(11)5(6(3)12)7(15)8(10,13)14/h1-2,7,15H
InChIKeyICSZGLSYQOBDQT-UHFFFAOYSA-N
MW307.47 g/mol
LogP3.59
Rot. Bonds2

About 1-(3-bromo-2,6-difluorophenyl)-2-chloro-2,2-difluoroethanol

1-(3-bromo-2,6-difluorophenyl)-2-chloro-2,2-difluoroethanol (PubChem CID 106942092) has the molecular formula C8H4BrClF4O and a molecular weight of 307.47 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-2-chloro-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-2-chloro-2,2-difluoroethanol
PubChem CID106942092
Molecular FormulaC8H4BrClF4O
Molecular Weight307.47 g/mol
Exact Mass305.91
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-2-chloro-2,2-difluoroethanol
SMILESOC(c1c(F)ccc(Br)c1F)C(F)(F)Cl
InChIInChI=1S/C8H4BrClF4O/c9-3-1-2-4(11)5(6(3)12)7(15)8(10,13)14/h1-2,7,15H
InChIKeyICSZGLSYQOBDQT-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
CID 112575388
(3R)-3-amino-3-(3-bromo-2,6-difluorophenyl)-2,2-difluoropropan-1-ol
CID 131392243
1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol
CID 106942151
(1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol
CID 130612106
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 106945185
1-(3-bromo-2,6-difluorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 106942324
(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol
CID 106941245
(1S,2R)-1-amino-1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171268152
2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethanol
CID 112575331
(1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 171248107
1-(3-bromo-2,6-difluorophenyl)-2-(3,4-dichlorophenyl)ethanol
CID 106941955
1-(3-bromo-2,6-difluorophenyl)decan-1-ol
CID 106945067

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-chloro-2,2-difluoroethanol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-chloro-2,2-difluoroethanol (CID 106942092) is 1-(3-bromo-2,6-difluorophenyl)-2-chloro-2,2-difluoroethanol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-2-chloro-2,2-difluoroethanol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-2-chloro-2,2-difluoroethanol is OC(c1c(F)ccc(Br)c1F)C(F)(F)Cl.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-2-chloro-2,2-difluoroethanol?
The InChIKey is ICSZGLSYQOBDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF4O/c9-3-1-2-4(11)5(6(3)12)7(15)8(10,13)14/h1-2,7,15H.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-2-chloro-2,2-difluoroethanol?
1-(3-bromo-2,6-difluorophenyl)-2-chloro-2,2-difluoroethanol has a molecular weight of 307.47 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-2-chloro-2,2-difluoroethanol is sourced from PubChem (CID 106942092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).