1-(3,6-dibromo-2-fluorophenyl)propan-1-ol

C9H9Br2FO — CID 118658154

IUPAC1-(3,6-dibromo-2-fluorophenyl)propan-1-ol
SMILESCCC(O)c1c(Br)ccc(Br)c1F
InChIInChI=1S/C9H9Br2FO/c1-2-7(13)8-5(10)3-4-6(11)9(8)12/h3-4,7,13H,2H2,1H3
InChIKeyPPDPSASPGWVXQG-UHFFFAOYSA-N
MW311.98 g/mol
LogP3.79
Rot. Bonds2

About 1-(3,6-dibromo-2-fluorophenyl)propan-1-ol

1-(3,6-dibromo-2-fluorophenyl)propan-1-ol (PubChem CID 118658154) has the molecular formula C9H9Br2FO and a molecular weight of 311.98 g/mol. Its IUPAC name is 1-(3,6-dibromo-2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name1-(3,6-dibromo-2-fluorophenyl)propan-1-ol
PubChem CID118658154
Molecular FormulaC9H9Br2FO
Molecular Weight311.98 g/mol
Exact Mass309.90
IUPAC Name1-(3,6-dibromo-2-fluorophenyl)propan-1-ol
SMILESCCC(O)c1c(Br)ccc(Br)c1F
InChIInChI=1S/C9H9Br2FO/c1-2-7(13)8-5(10)3-4-6(11)9(8)12/h3-4,7,13H,2H2,1H3
InChIKeyPPDPSASPGWVXQG-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.98
LogP ≤ 53.79
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

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CID 171367653
1-(2-bromo-6-fluorophenyl)propan-1-ol
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1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)propan-1-ol
CID 171367246
1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol
CID 171366034
1-(3-bromo-2,6-difluorophenyl)decan-1-ol
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(1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol
CID 103920536
4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84807282
3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol
CID 84806995
(1S)-1-(3-bromo-2,6-difluorophenyl)propan-1-amine;hydrochloride
CID 171224706
2-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid
CID 84811131
2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
CID 83902221
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CID 164892359

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dibromo-2-fluorophenyl)propan-1-ol?
The IUPAC name of 1-(3,6-dibromo-2-fluorophenyl)propan-1-ol (CID 118658154) is 1-(3,6-dibromo-2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 1-(3,6-dibromo-2-fluorophenyl)propan-1-ol?
The canonical SMILES for 1-(3,6-dibromo-2-fluorophenyl)propan-1-ol is CCC(O)c1c(Br)ccc(Br)c1F.
What is the InChIKey of 1-(3,6-dibromo-2-fluorophenyl)propan-1-ol?
The InChIKey is PPDPSASPGWVXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2FO/c1-2-7(13)8-5(10)3-4-6(11)9(8)12/h3-4,7,13H,2H2,1H3.
What are the key properties of 1-(3,6-dibromo-2-fluorophenyl)propan-1-ol?
1-(3,6-dibromo-2-fluorophenyl)propan-1-ol has a molecular weight of 311.98 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dibromo-2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 118658154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).