2-bromo-1-(2,5-difluorophenyl)propan-1-ol

C9H9BrF2O — CID 116863317

IUPAC2-bromo-1-(2,5-difluorophenyl)propan-1-ol
SMILESCC(Br)C(O)c1cc(F)ccc1F
InChIInChI=1S/C9H9BrF2O/c1-5(10)9(13)7-4-6(11)2-3-8(7)12/h2-5,9,13H,1H3
InChIKeyZXIZIRMVHNGBDG-UHFFFAOYSA-N
MW251.07 g/mol
LogP2.78
Rot. Bonds2

About 2-bromo-1-(2,5-difluorophenyl)propan-1-ol

2-bromo-1-(2,5-difluorophenyl)propan-1-ol (PubChem CID 116863317) has the molecular formula C9H9BrF2O and a molecular weight of 251.07 g/mol. Its IUPAC name is 2-bromo-1-(2,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-bromo-1-(2,5-difluorophenyl)propan-1-ol
PubChem CID116863317
Molecular FormulaC9H9BrF2O
Molecular Weight251.07 g/mol
Exact Mass249.98
IUPAC Name2-bromo-1-(2,5-difluorophenyl)propan-1-ol
SMILESCC(Br)C(O)c1cc(F)ccc1F
InChIInChI=1S/C9H9BrF2O/c1-5(10)9(13)7-4-6(11)2-3-8(7)12/h2-5,9,13H,1H3
InChIKeyZXIZIRMVHNGBDG-UHFFFAOYSA-N
XLogP2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 52.78
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

2-cyclopropyl-1-(2,5-difluorophenyl)propan-1-ol
CID 83148576
1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol
CID 116711989
4-(2,5-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414806
1-(2,5-difluorophenyl)-3-methyl-2-(propan-2-ylamino)butan-1-ol
CID 82316224
(1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol
CID 130697354
3-bromo-4-(2,5-difluorophenyl)pentan-2-one
CID 64720936
2-(4-bromopentan-2-yl)-1,4-difluorobenzene
CID 64720370
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
2-(1-chloroethyl)-1,4-difluorobenzene
CID 43114942
2-(2,5-difluorophenyl)pentan-3-ol
CID 79299015
1-(2,5-difluorophenyl)butane-1,2,4-triol
CID 171871871
2-(cyclopropylamino)-1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 82316233

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2,5-difluorophenyl)propan-1-ol?
The IUPAC name of 2-bromo-1-(2,5-difluorophenyl)propan-1-ol (CID 116863317) is 2-bromo-1-(2,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-bromo-1-(2,5-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-bromo-1-(2,5-difluorophenyl)propan-1-ol is CC(Br)C(O)c1cc(F)ccc1F.
What is the InChIKey of 2-bromo-1-(2,5-difluorophenyl)propan-1-ol?
The InChIKey is ZXIZIRMVHNGBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2O/c1-5(10)9(13)7-4-6(11)2-3-8(7)12/h2-5,9,13H,1H3.
What are the key properties of 2-bromo-1-(2,5-difluorophenyl)propan-1-ol?
2-bromo-1-(2,5-difluorophenyl)propan-1-ol has a molecular weight of 251.07 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 116863317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).