[4-(bromomethyl)-3-fluorophenyl]methanol

C8H8BrFO — CID 72712924

IUPAC[4-(bromomethyl)-3-fluorophenyl]methanol
SMILESOCc1ccc(CBr)c(F)c1
InChIInChI=1S/C8H8BrFO/c9-4-7-2-1-6(5-11)3-8(7)10/h1-3,11H,4-5H2
InChIKeyKCNDGAGZWNZUCD-UHFFFAOYSA-N
MW219.05 g/mol
LogP2.21
Rot. Bonds2

About [4-(bromomethyl)-3-fluorophenyl]methanol

[4-(bromomethyl)-3-fluorophenyl]methanol (PubChem CID 72712924) has the molecular formula C8H8BrFO and a molecular weight of 219.05 g/mol. Its IUPAC name is [4-(bromomethyl)-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(bromomethyl)-3-fluorophenyl]methanol
PubChem CID72712924
Molecular FormulaC8H8BrFO
Molecular Weight219.05 g/mol
Exact Mass217.97
IUPAC Name[4-(bromomethyl)-3-fluorophenyl]methanol
SMILESOCc1ccc(CBr)c(F)c1
InChIInChI=1S/C8H8BrFO/c9-4-7-2-1-6(5-11)3-8(7)10/h1-3,11H,4-5H2
InChIKeyKCNDGAGZWNZUCD-UHFFFAOYSA-N
XLogP2.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.05
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 91883092
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[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methanol
CID 91159196
(3-fluoro-4-nonylphenyl)methanol
CID 174919502
1-bromo-3-[2-fluoro-5-(hydroxymethyl)phenyl]propan-2-one
CID 134616347
[4-(bromomethyl)-3-nitrophenyl]methanol
CID 139934895
[3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850115
1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine
CID 169387081
[3-bromo-4-(3-bromopropyl)phenyl]methanol
CID 134625359
(4-amino-3-bromo-5-fluorophenyl)methanol
CID 71721412
(3-fluoro-4-propan-2-yloxyphenyl)methanol
CID 28945931

Frequently Asked Questions

What is the IUPAC name of [4-(bromomethyl)-3-fluorophenyl]methanol?
The IUPAC name of [4-(bromomethyl)-3-fluorophenyl]methanol (CID 72712924) is [4-(bromomethyl)-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(bromomethyl)-3-fluorophenyl]methanol?
The canonical SMILES for [4-(bromomethyl)-3-fluorophenyl]methanol is OCc1ccc(CBr)c(F)c1.
What is the InChIKey of [4-(bromomethyl)-3-fluorophenyl]methanol?
The InChIKey is KCNDGAGZWNZUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO/c9-4-7-2-1-6(5-11)3-8(7)10/h1-3,11H,4-5H2.
What are the key properties of [4-(bromomethyl)-3-fluorophenyl]methanol?
[4-(bromomethyl)-3-fluorophenyl]methanol has a molecular weight of 219.05 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(bromomethyl)-3-fluorophenyl]methanol is sourced from PubChem (CID 72712924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).