4-bromo-1-(2,6-difluorophenyl)butane-1,2-diol

C10H11BrF2O2 — CID 171891582

IUPAC4-bromo-1-(2,6-difluorophenyl)butane-1,2-diol
SMILESOC(CCBr)C(O)c1c(F)cccc1F
InChIInChI=1S/C10H11BrF2O2/c11-5-4-8(14)10(15)9-6(12)2-1-3-7(9)13/h1-3,8,10,14-15H,4-5H2
InChIKeySIIFNJOVLZKMHK-UHFFFAOYSA-N
MW281.10 g/mol
LogP2.14
Rot. Bonds4

About 4-bromo-1-(2,6-difluorophenyl)butane-1,2-diol

4-bromo-1-(2,6-difluorophenyl)butane-1,2-diol (PubChem CID 171891582) has the molecular formula C10H11BrF2O2 and a molecular weight of 281.10 g/mol. Its IUPAC name is 4-bromo-1-(2,6-difluorophenyl)butane-1,2-diol.

Molecular Properties

Compound Name4-bromo-1-(2,6-difluorophenyl)butane-1,2-diol
PubChem CID171891582
Molecular FormulaC10H11BrF2O2
Molecular Weight281.10 g/mol
Exact Mass279.99
IUPAC Name4-bromo-1-(2,6-difluorophenyl)butane-1,2-diol
SMILESOC(CCBr)C(O)c1c(F)cccc1F
InChIInChI=1S/C10H11BrF2O2/c11-5-4-8(14)10(15)9-6(12)2-1-3-7(9)13/h1-3,8,10,14-15H,4-5H2
InChIKeySIIFNJOVLZKMHK-UHFFFAOYSA-N
XLogP2.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-(2,6-difluorophenyl)butane-1,2-diol
CID 171880830
1-(2-amino-6-fluorophenyl)-3-bromopropane-1,2-diol
CID 171859699
2-(4-bromobutan-2-yl)-1,3-difluorobenzene
CID 83925329
4-bromo-1-(2,6-dibromo-4-fluorophenyl)butane-1,2-diol
CID 171893126
4-bromo-1-(2,6-dichloro-4-fluorophenyl)butane-1,2-diol
CID 171891823
4-bromo-1-(6-fluoro-2-pyridinyl)butane-1,2-diol
CID 171891478
4-bromo-1-(4-fluoronaphthalen-1-yl)butane-1,2-diol
CID 171892735
4-bromo-1-(2-chloro-6-methylphenyl)butane-1,2-diol
CID 171891540
1-anthracen-9-yl-4-bromobutane-1,2-diol
CID 171893034
4-bromo-1-(2-bromo-4-fluorophenyl)butane-1,2-diol
CID 171893090
4-bromo-1-(3,4-difluoro-2-methylphenyl)butane-1,2-diol
CID 171891860
4-bromo-1-(2-hydroxynaphthalen-1-yl)butane-1,2-diol
CID 171892749

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2,6-difluorophenyl)butane-1,2-diol?
The IUPAC name of 4-bromo-1-(2,6-difluorophenyl)butane-1,2-diol (CID 171891582) is 4-bromo-1-(2,6-difluorophenyl)butane-1,2-diol.
What is the SMILES notation for 4-bromo-1-(2,6-difluorophenyl)butane-1,2-diol?
The canonical SMILES for 4-bromo-1-(2,6-difluorophenyl)butane-1,2-diol is OC(CCBr)C(O)c1c(F)cccc1F.
What is the InChIKey of 4-bromo-1-(2,6-difluorophenyl)butane-1,2-diol?
The InChIKey is SIIFNJOVLZKMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2O2/c11-5-4-8(14)10(15)9-6(12)2-1-3-7(9)13/h1-3,8,10,14-15H,4-5H2.
What are the key properties of 4-bromo-1-(2,6-difluorophenyl)butane-1,2-diol?
4-bromo-1-(2,6-difluorophenyl)butane-1,2-diol has a molecular weight of 281.10 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2,6-difluorophenyl)butane-1,2-diol is sourced from PubChem (CID 171891582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).