1-(3-bromo-2,6-difluorophenyl)-1-(4-fluorophenyl)ethanol

C14H10BrF3O — CID 106941187

IUPAC1-(3-bromo-2,6-difluorophenyl)-1-(4-fluorophenyl)ethanol
SMILESCC(O)(c1ccc(F)cc1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H10BrF3O/c1-14(19,8-2-4-9(16)5-3-8)12-11(17)7-6-10(15)13(12)18/h2-7,19H,1H3
InChIKeyDQQMYADGYSACRW-UHFFFAOYSA-N
MW331.13 g/mol
LogP4.12
Rot. Bonds2

About 1-(3-bromo-2,6-difluorophenyl)-1-(4-fluorophenyl)ethanol

1-(3-bromo-2,6-difluorophenyl)-1-(4-fluorophenyl)ethanol (PubChem CID 106941187) has the molecular formula C14H10BrF3O and a molecular weight of 331.13 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-1-(4-fluorophenyl)ethanol
PubChem CID106941187
Molecular FormulaC14H10BrF3O
Molecular Weight331.13 g/mol
Exact Mass329.99
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-1-(4-fluorophenyl)ethanol
SMILESCC(O)(c1ccc(F)cc1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H10BrF3O/c1-14(19,8-2-4-9(16)5-3-8)12-11(17)7-6-10(15)13(12)18/h2-7,19H,1H3
InChIKeyDQQMYADGYSACRW-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.13
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-bromo-2,6-difluorophenyl)-1-(4-fluorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-2,6-difluorophenyl)-1-(3-chlorophenyl)ethanol
CID 106941192
1-(2-bromophenyl)-1-(4-fluorophenyl)ethanol
CID 60795081
4-(3-bromo-2,6-difluorophenyl)heptan-4-ol
CID 106941520
2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol
CID 106943818
1-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62787435
1-(3-bromo-2,6-difluorophenyl)-1-(3-fluorophenyl)ethanamine
CID 106941565
2-(4-fluorophenyl)propan-2-ol
CID 637733
1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol
CID 62802529
1-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethanol
CID 58392419
1-(4-bromo-3-fluorophenyl)-1-phenylethanol
CID 66915422
1-fluoro-4-[2-(4-fluorophenyl)propan-2-yl]benzene
CID 22572271
3-amino-2-(3-bromo-2,6-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 106943453

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-1-(4-fluorophenyl)ethanol (CID 106941187) is 1-(3-bromo-2,6-difluorophenyl)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-1-(4-fluorophenyl)ethanol is CC(O)(c1ccc(F)cc1)c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-1-(4-fluorophenyl)ethanol?
The InChIKey is DQQMYADGYSACRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3O/c1-14(19,8-2-4-9(16)5-3-8)12-11(17)7-6-10(15)13(12)18/h2-7,19H,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-1-(4-fluorophenyl)ethanol?
1-(3-bromo-2,6-difluorophenyl)-1-(4-fluorophenyl)ethanol has a molecular weight of 331.13 g/mol, XLogP of 4.12, 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)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 106941187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).