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

C9H8BrClFIO — CID 89405826

IUPAC1-(6-bromo-3-chloro-2-fluorophenyl)-3-iodopropan-1-ol
SMILESOC(CCI)c1c(Br)ccc(Cl)c1F
InChIInChI=1S/C9H8BrClFIO/c10-5-1-2-6(11)9(12)8(5)7(14)3-4-13/h1-2,7,14H,3-4H2
InChIKeyOVLDKQJTYNKGAN-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.10
Rot. Bonds3

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

1-(6-bromo-3-chloro-2-fluorophenyl)-3-iodopropan-1-ol (PubChem CID 89405826) has the molecular formula C9H8BrClFIO and a molecular weight of 393.42 g/mol. Its IUPAC name is 1-(6-bromo-3-chloro-2-fluorophenyl)-3-iodopropan-1-ol.

Molecular Properties

Compound Name1-(6-bromo-3-chloro-2-fluorophenyl)-3-iodopropan-1-ol
PubChem CID89405826
Molecular FormulaC9H8BrClFIO
Molecular Weight393.42 g/mol
Exact Mass391.85
IUPAC Name1-(6-bromo-3-chloro-2-fluorophenyl)-3-iodopropan-1-ol
SMILESOC(CCI)c1c(Br)ccc(Cl)c1F
InChIInChI=1S/C9H8BrClFIO/c10-5-1-2-6(11)9(12)8(5)7(14)3-4-13/h1-2,7,14H,3-4H2
InChIKeyOVLDKQJTYNKGAN-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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CID 144527983
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CID 90206971
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CID 106941955
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CID 171367653
3-bromo-6-chloro-2-fluorophenol
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CID 84806995

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-chloro-2-fluorophenyl)-3-iodopropan-1-ol?
The IUPAC name of 1-(6-bromo-3-chloro-2-fluorophenyl)-3-iodopropan-1-ol (CID 89405826) is 1-(6-bromo-3-chloro-2-fluorophenyl)-3-iodopropan-1-ol.
What is the SMILES notation for 1-(6-bromo-3-chloro-2-fluorophenyl)-3-iodopropan-1-ol?
The canonical SMILES for 1-(6-bromo-3-chloro-2-fluorophenyl)-3-iodopropan-1-ol is OC(CCI)c1c(Br)ccc(Cl)c1F.
What is the InChIKey of 1-(6-bromo-3-chloro-2-fluorophenyl)-3-iodopropan-1-ol?
The InChIKey is OVLDKQJTYNKGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClFIO/c10-5-1-2-6(11)9(12)8(5)7(14)3-4-13/h1-2,7,14H,3-4H2.
What are the key properties of 1-(6-bromo-3-chloro-2-fluorophenyl)-3-iodopropan-1-ol?
1-(6-bromo-3-chloro-2-fluorophenyl)-3-iodopropan-1-ol has a molecular weight of 393.42 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-chloro-2-fluorophenyl)-3-iodopropan-1-ol is sourced from PubChem (CID 89405826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).