1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol

C9H8BrClF2O2 — CID 104632696

IUPAC1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)C(F)F
InChIInChI=1S/C9H8BrClF2O2/c1-15-8-5(7(14)9(12)13)2-4(11)3-6(8)10/h2-3,7,9,14H,1H3
InChIKeyOHEWXIPMQMKPSY-UHFFFAOYSA-N
MW301.51 g/mol
LogP3.41
Rot. Bonds3

About 1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol

1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol (PubChem CID 104632696) has the molecular formula C9H8BrClF2O2 and a molecular weight of 301.51 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol
PubChem CID104632696
Molecular FormulaC9H8BrClF2O2
Molecular Weight301.51 g/mol
Exact Mass299.94
IUPAC Name1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)C(F)F
InChIInChI=1S/C9H8BrClF2O2/c1-15-8-5(7(14)9(12)13)2-4(11)3-6(8)10/h2-3,7,9,14H,1H3
InChIKeyOHEWXIPMQMKPSY-UHFFFAOYSA-N
XLogP3.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chloro-2-methoxyphenyl)-2-methylpentan-1-ol
CID 61100674
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475
1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol
CID 61099300
(3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955298
(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol
CID 61100157
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 43480286
1-bromo-5-chloro-3-(1-chloro-2,2,3,3,3-pentafluoropropyl)-2-methoxybenzene
CID 63431153
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61100155
(3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80642254
(3-bromo-5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanol
CID 107181484
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol
CID 61100159
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene
CID 63430739

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol (CID 104632696) is 1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol is COc1c(Br)cc(Cl)cc1C(O)C(F)F.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol?
The InChIKey is OHEWXIPMQMKPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClF2O2/c1-15-8-5(7(14)9(12)13)2-4(11)3-6(8)10/h2-3,7,9,14H,1H3.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol?
1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol has a molecular weight of 301.51 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol is sourced from PubChem (CID 104632696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).