(3-bromo-2,5-difluorophenyl)methanol

C7H5BrF2O — CID 66657412

IUPAC(3-bromo-2,5-difluorophenyl)methanol
SMILESOCc1cc(F)cc(Br)c1F
InChIInChI=1S/C7H5BrF2O/c8-6-2-5(9)1-4(3-11)7(6)10/h1-2,11H,3H2
InChIKeyMHTYZAZJJICWHX-UHFFFAOYSA-N
MW223.02 g/mol
LogP2.22
Rot. Bonds1

About (3-bromo-2,5-difluorophenyl)methanol

(3-bromo-2,5-difluorophenyl)methanol (PubChem CID 66657412) has the molecular formula C7H5BrF2O and a molecular weight of 223.02 g/mol. Its IUPAC name is (3-bromo-2,5-difluorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2,5-difluorophenyl)methanol
PubChem CID66657412
Molecular FormulaC7H5BrF2O
Molecular Weight223.02 g/mol
Exact Mass221.95
IUPAC Name(3-bromo-2,5-difluorophenyl)methanol
SMILESOCc1cc(F)cc(Br)c1F
InChIInChI=1S/C7H5BrF2O/c8-6-2-5(9)1-4(3-11)7(6)10/h1-2,11H,3H2
InChIKeyMHTYZAZJJICWHX-UHFFFAOYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.02
LogP ≤ 52.22
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-(19F)fluoro-5-methylphenyl)methanol
CID 101070863
(5-bromo-3-chloro-2,4-difluorophenyl)methanol
CID 102171552
(2,6-dibromo-4-fluorophenyl)methanol
CID 58043943
(3-bromo-2,5-difluorophenyl)methanesulfonyl chloride
CID 117490895
(2-bromo-5-fluoro-3-iodophenyl)methanol
CID 131332719
(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methanol
CID 84710384
[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol
CID 43313412
3-bromo-5-fluoro-2-(hydroxymethyl)phenol
CID 119021874
4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol
CID 84798374
1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine
CID 117470195
[2-(bromomethyl)-3,5-difluorophenyl]methanol
CID 22121420
2-(3-bromo-5-fluoro-2-iodophenyl)acetic acid
CID 131621164

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,5-difluorophenyl)methanol?
The IUPAC name of (3-bromo-2,5-difluorophenyl)methanol (CID 66657412) is (3-bromo-2,5-difluorophenyl)methanol.
What is the SMILES notation for (3-bromo-2,5-difluorophenyl)methanol?
The canonical SMILES for (3-bromo-2,5-difluorophenyl)methanol is OCc1cc(F)cc(Br)c1F.
What is the InChIKey of (3-bromo-2,5-difluorophenyl)methanol?
The InChIKey is MHTYZAZJJICWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2O/c8-6-2-5(9)1-4(3-11)7(6)10/h1-2,11H,3H2.
What are the key properties of (3-bromo-2,5-difluorophenyl)methanol?
(3-bromo-2,5-difluorophenyl)methanol has a molecular weight of 223.02 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,5-difluorophenyl)methanol is sourced from PubChem (CID 66657412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).