(4-bromo-2,5-difluorophenyl)-(3-chloro-2-fluorophenyl)methanol

C13H7BrClF3O — CID 81264627

IUPAC(4-bromo-2,5-difluorophenyl)-(3-chloro-2-fluorophenyl)methanol
SMILESOC(c1cc(F)c(Br)cc1F)c1cccc(Cl)c1F
InChIInChI=1S/C13H7BrClF3O/c14-8-5-10(16)7(4-11(8)17)13(19)6-2-1-3-9(15)12(6)18/h1-5,13,19H
InChIKeyKKALFEXPSMUFLX-UHFFFAOYSA-N
MW351.55 g/mol
LogP4.60
Rot. Bonds2

About (4-bromo-2,5-difluorophenyl)-(3-chloro-2-fluorophenyl)methanol

(4-bromo-2,5-difluorophenyl)-(3-chloro-2-fluorophenyl)methanol (PubChem CID 81264627) has the molecular formula C13H7BrClF3O and a molecular weight of 351.55 g/mol. Its IUPAC name is (4-bromo-2,5-difluorophenyl)-(3-chloro-2-fluorophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2,5-difluorophenyl)-(3-chloro-2-fluorophenyl)methanol
PubChem CID81264627
Molecular FormulaC13H7BrClF3O
Molecular Weight351.55 g/mol
Exact Mass349.93
IUPAC Name(4-bromo-2,5-difluorophenyl)-(3-chloro-2-fluorophenyl)methanol
SMILESOC(c1cc(F)c(Br)cc1F)c1cccc(Cl)c1F
InChIInChI=1S/C13H7BrClF3O/c14-8-5-10(16)7(4-11(8)17)13(19)6-2-1-3-9(15)12(6)18/h1-5,13,19H
InChIKeyKKALFEXPSMUFLX-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.55
LogP ≤ 54.60
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

(3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol
CID 107955792
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanol
CID 81266328
(4-bromothiophen-3-yl)-(3-chloro-2-fluorophenyl)methanol
CID 79595737
(4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964287
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443
(4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine
CID 105398594
(3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol
CID 64712600
1-[bromo-(3-chloro-2-fluorophenyl)methyl]-2,4-difluorobenzene
CID 81262674
(3-bromo-2-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 106648345
1-[(3-bromo-4-fluorophenyl)-chloromethyl]-3-chloro-2-fluorobenzene
CID 81263058
(4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 105399342
(1S)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712910

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-difluorophenyl)-(3-chloro-2-fluorophenyl)methanol?
The IUPAC name of (4-bromo-2,5-difluorophenyl)-(3-chloro-2-fluorophenyl)methanol (CID 81264627) is (4-bromo-2,5-difluorophenyl)-(3-chloro-2-fluorophenyl)methanol.
What is the SMILES notation for (4-bromo-2,5-difluorophenyl)-(3-chloro-2-fluorophenyl)methanol?
The canonical SMILES for (4-bromo-2,5-difluorophenyl)-(3-chloro-2-fluorophenyl)methanol is OC(c1cc(F)c(Br)cc1F)c1cccc(Cl)c1F.
What is the InChIKey of (4-bromo-2,5-difluorophenyl)-(3-chloro-2-fluorophenyl)methanol?
The InChIKey is KKALFEXPSMUFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF3O/c14-8-5-10(16)7(4-11(8)17)13(19)6-2-1-3-9(15)12(6)18/h1-5,13,19H.
What are the key properties of (4-bromo-2,5-difluorophenyl)-(3-chloro-2-fluorophenyl)methanol?
(4-bromo-2,5-difluorophenyl)-(3-chloro-2-fluorophenyl)methanol has a molecular weight of 351.55 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-difluorophenyl)-(3-chloro-2-fluorophenyl)methanol is sourced from PubChem (CID 81264627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).