1-(3-bromo-2,6-difluorophenyl)-2-(3-bromophenyl)ethanol

C14H10Br2F2O — CID 106941936

IUPAC1-(3-bromo-2,6-difluorophenyl)-2-(3-bromophenyl)ethanol
SMILESOC(Cc1cccc(Br)c1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H10Br2F2O/c15-9-3-1-2-8(6-9)7-12(19)13-11(17)5-4-10(16)14(13)18/h1-6,12,19H,7H2
InChIKeyITMWDBKEPBMWPA-UHFFFAOYSA-N
MW392.04 g/mol
LogP4.77
Rot. Bonds3

About 1-(3-bromo-2,6-difluorophenyl)-2-(3-bromophenyl)ethanol

1-(3-bromo-2,6-difluorophenyl)-2-(3-bromophenyl)ethanol (PubChem CID 106941936) has the molecular formula C14H10Br2F2O and a molecular weight of 392.04 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-2-(3-bromophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-2-(3-bromophenyl)ethanol
PubChem CID106941936
Molecular FormulaC14H10Br2F2O
Molecular Weight392.04 g/mol
Exact Mass389.91
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-2-(3-bromophenyl)ethanol
SMILESOC(Cc1cccc(Br)c1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H10Br2F2O/c15-9-3-1-2-8(6-9)7-12(19)13-11(17)5-4-10(16)14(13)18/h1-6,12,19H,7H2
InChIKeyITMWDBKEPBMWPA-UHFFFAOYSA-N
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.04
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-2-(3,4-dichlorophenyl)ethanol
CID 106941955
1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol
CID 63017169
1-(3-bromo-2,6-difluorophenyl)-2-thiophen-2-ylethanol
CID 106941958
1-bromo-3-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-2,4-difluorobenzene
CID 106273782
[1-(3-bromo-2,6-difluorophenyl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 106945264
1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 106942201
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 65148571
1-(3-bromo-2,6-difluorophenyl)decan-1-ol
CID 106945067
(1S,2R)-1-amino-1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171268166
2-(4-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 82815992
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol
CID 106266378

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-(3-bromophenyl)ethanol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-(3-bromophenyl)ethanol (CID 106941936) is 1-(3-bromo-2,6-difluorophenyl)-2-(3-bromophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-2-(3-bromophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-2-(3-bromophenyl)ethanol is OC(Cc1cccc(Br)c1)c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-2-(3-bromophenyl)ethanol?
The InChIKey is ITMWDBKEPBMWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2F2O/c15-9-3-1-2-8(6-9)7-12(19)13-11(17)5-4-10(16)14(13)18/h1-6,12,19H,7H2.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-2-(3-bromophenyl)ethanol?
1-(3-bromo-2,6-difluorophenyl)-2-(3-bromophenyl)ethanol has a molecular weight of 392.04 g/mol, XLogP of 4.77, 3 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-(3-bromophenyl)ethanol is sourced from PubChem (CID 106941936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).