1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol

C9H9BrClFO — CID 171366034

IUPAC1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol
SMILESCCC(O)c1c(F)ccc(Br)c1Cl
InChIInChI=1S/C9H9BrClFO/c1-2-7(13)8-6(12)4-3-5(10)9(8)11/h3-4,7,13H,2H2,1H3
InChIKeyKNHGCUXIAVQZPV-UHFFFAOYSA-N
MW267.52 g/mol
LogP3.68
Rot. Bonds2

About 1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol

1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol (PubChem CID 171366034) has the molecular formula C9H9BrClFO and a molecular weight of 267.52 g/mol. Its IUPAC name is 1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol
PubChem CID171366034
Molecular FormulaC9H9BrClFO
Molecular Weight267.52 g/mol
Exact Mass265.95
IUPAC Name1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol
SMILESCCC(O)c1c(F)ccc(Br)c1Cl
InChIInChI=1S/C9H9BrClFO/c1-2-7(13)8-6(12)4-3-5(10)9(8)11/h3-4,7,13H,2H2,1H3
InChIKeyKNHGCUXIAVQZPV-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.52
LogP ≤ 53.68
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

1-(3-bromo-2-chloro-6-fluorophenyl)-3-methylbutan-1-ol
CID 171366580
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
1-(3,6-dibromo-2-fluorophenyl)propan-1-ol
CID 118658154
1-(6-bromo-2-fluoro-3-methylsulfanylphenyl)propan-1-ol
CID 171367653
1-(3-bromo-2,6-difluorophenyl)decan-1-ol
CID 106945067
1-bromo-2-chloro-4-fluoro-3-methylbenzene
CID 2736227
1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol
CID 106761382
(3-bromo-2-chloro-6-fluorophenyl)methanol
CID 74892834
1-bromo-2-chloro-3-ethylsulfanyl-4-fluorobenzene
CID 171367258
(1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol
CID 103920536
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfanylethanol
CID 106762014
1-(2,4,6-trifluorophenyl)propan-1-ol
CID 61087665

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol?
The IUPAC name of 1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol (CID 171366034) is 1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol.
What is the SMILES notation for 1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol?
The canonical SMILES for 1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol is CCC(O)c1c(F)ccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol?
The InChIKey is KNHGCUXIAVQZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClFO/c1-2-7(13)8-6(12)4-3-5(10)9(8)11/h3-4,7,13H,2H2,1H3.
What are the key properties of 1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol?
1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol has a molecular weight of 267.52 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chloro-6-fluorophenyl)propan-1-ol is sourced from PubChem (CID 171366034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).