(3-bromo-4-chloro-2,6-difluorophenyl)methanol

C7H4BrClF2O — CID 162422497

IUPAC(3-bromo-4-chloro-2,6-difluorophenyl)methanol
SMILESOCc1c(F)cc(Cl)c(Br)c1F
InChIInChI=1S/C7H4BrClF2O/c8-6-4(9)1-5(10)3(2-12)7(6)11/h1,12H,2H2
InChIKeyCAMRCTGLKYAQDY-UHFFFAOYSA-N
MW257.46 g/mol
LogP2.87
Rot. Bonds1

About (3-bromo-4-chloro-2,6-difluorophenyl)methanol

(3-bromo-4-chloro-2,6-difluorophenyl)methanol (PubChem CID 162422497) has the molecular formula C7H4BrClF2O and a molecular weight of 257.46 g/mol. Its IUPAC name is (3-bromo-4-chloro-2,6-difluorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-chloro-2,6-difluorophenyl)methanol
PubChem CID162422497
Molecular FormulaC7H4BrClF2O
Molecular Weight257.46 g/mol
Exact Mass255.91
IUPAC Name(3-bromo-4-chloro-2,6-difluorophenyl)methanol
SMILESOCc1c(F)cc(Cl)c(Br)c1F
InChIInChI=1S/C7H4BrClF2O/c8-6-4(9)1-5(10)3(2-12)7(6)11/h1,12H,2H2
InChIKeyCAMRCTGLKYAQDY-UHFFFAOYSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chloro-2,6-difluorophenyl)methanol?
The IUPAC name of (3-bromo-4-chloro-2,6-difluorophenyl)methanol (CID 162422497) is (3-bromo-4-chloro-2,6-difluorophenyl)methanol.
What is the SMILES notation for (3-bromo-4-chloro-2,6-difluorophenyl)methanol?
The canonical SMILES for (3-bromo-4-chloro-2,6-difluorophenyl)methanol is OCc1c(F)cc(Cl)c(Br)c1F.
What is the InChIKey of (3-bromo-4-chloro-2,6-difluorophenyl)methanol?
The InChIKey is CAMRCTGLKYAQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2O/c8-6-4(9)1-5(10)3(2-12)7(6)11/h1,12H,2H2.
What are the key properties of (3-bromo-4-chloro-2,6-difluorophenyl)methanol?
(3-bromo-4-chloro-2,6-difluorophenyl)methanol has a molecular weight of 257.46 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chloro-2,6-difluorophenyl)methanol is sourced from PubChem (CID 162422497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).