2,3-dibromo-3-(4-fluorophenyl)propan-1-ol

C9H9Br2FO — CID 139985388

IUPAC2,3-dibromo-3-(4-fluorophenyl)propan-1-ol
SMILESOCC(Br)C(Br)c1ccc(F)cc1
InChIInChI=1S/C9H9Br2FO/c10-8(5-13)9(11)6-1-3-7(12)4-2-6/h1-4,8-9,13H,5H2
InChIKeyDQAFCBRNFILMMH-UHFFFAOYSA-N
MW311.98 g/mol
LogP3.02
Rot. Bonds3

About 2,3-dibromo-3-(4-fluorophenyl)propan-1-ol

2,3-dibromo-3-(4-fluorophenyl)propan-1-ol (PubChem CID 139985388) has the molecular formula C9H9Br2FO and a molecular weight of 311.98 g/mol. Its IUPAC name is 2,3-dibromo-3-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2,3-dibromo-3-(4-fluorophenyl)propan-1-ol
PubChem CID139985388
Molecular FormulaC9H9Br2FO
Molecular Weight311.98 g/mol
Exact Mass309.90
IUPAC Name2,3-dibromo-3-(4-fluorophenyl)propan-1-ol
SMILESOCC(Br)C(Br)c1ccc(F)cc1
InChIInChI=1S/C9H9Br2FO/c10-8(5-13)9(11)6-1-3-7(12)4-2-6/h1-4,8-9,13H,5H2
InChIKeyDQAFCBRNFILMMH-UHFFFAOYSA-N
XLogP3.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.98
LogP ≤ 53.02
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

(2R,3S)-2,3-dibromo-3-phenylpropan-1-ol
CID 11300855
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
2-amino-2-(4-fluorophenyl)ethanol
CID 14853201
2-chloro-2-(4-fluorophenyl)ethanol
CID 57194845
2,3-dibromo-3-(4-fluorophenyl)propanoic acid
CID 122714820
3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438156
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
1-(1-bromo-2-phenylbutyl)-4-fluorobenzene
CID 63437368
(2R)-2-(4-fluorophenyl)-2-(iodoamino)ethanol
CID 148832712
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 91810279
4-amino-2-(4-fluorophenyl)butan-1-ol
CID 115016455
2-cyclopropyl-2-(4-fluorophenyl)ethanol
CID 82075045

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-3-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 2,3-dibromo-3-(4-fluorophenyl)propan-1-ol (CID 139985388) is 2,3-dibromo-3-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2,3-dibromo-3-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 2,3-dibromo-3-(4-fluorophenyl)propan-1-ol is OCC(Br)C(Br)c1ccc(F)cc1.
What is the InChIKey of 2,3-dibromo-3-(4-fluorophenyl)propan-1-ol?
The InChIKey is DQAFCBRNFILMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2FO/c10-8(5-13)9(11)6-1-3-7(12)4-2-6/h1-4,8-9,13H,5H2.
What are the key properties of 2,3-dibromo-3-(4-fluorophenyl)propan-1-ol?
2,3-dibromo-3-(4-fluorophenyl)propan-1-ol has a molecular weight of 311.98 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-3-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 139985388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).