2-(3,5-dichloro-4-fluorophenyl)propan-2-ol

C9H9Cl2FO — CID 117318974

IUPAC2-(3,5-dichloro-4-fluorophenyl)propan-2-ol
SMILESCC(C)(O)c1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C9H9Cl2FO/c1-9(2,13)5-3-6(10)8(12)7(11)4-5/h3-4,13H,1-2H3
InChIKeyIWVXCQWPXOGHLQ-UHFFFAOYSA-N
MW223.07 g/mol
LogP3.36
Rot. Bonds1

About 2-(3,5-dichloro-4-fluorophenyl)propan-2-ol

2-(3,5-dichloro-4-fluorophenyl)propan-2-ol (PubChem CID 117318974) has the molecular formula C9H9Cl2FO and a molecular weight of 223.07 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3,5-dichloro-4-fluorophenyl)propan-2-ol
PubChem CID117318974
Molecular FormulaC9H9Cl2FO
Molecular Weight223.07 g/mol
Exact Mass222.00
IUPAC Name2-(3,5-dichloro-4-fluorophenyl)propan-2-ol
SMILESCC(C)(O)c1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C9H9Cl2FO/c1-9(2,13)5-3-6(10)8(12)7(11)4-5/h3-4,13H,1-2H3
InChIKeyIWVXCQWPXOGHLQ-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-ol
CID 117308733
2-(3-chloro-5-fluorophenyl)propan-2-ol
CID 84661761
2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117337279
2-(3-chloro-2-fluoro-5-methoxyphenyl)propan-2-ol
CID 84684226
1,5-ditert-butyl-3-chloro-2-fluorobenzene
CID 140644518
2-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-2-ol
CID 117308731
2-[3,5-dichloro-4-(methoxymethyl)phenyl]propan-2-ol
CID 540635
2-fluoro-5-(2-hydroxypropan-2-yl)-3-methylphenol
CID 117279863
2-(3-chloro-4-fluoro-5-methylphenyl)propan-2-amine
CID 117290497
2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]propan-2-ol;2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 67743225
3-[(3,5-dichloro-4-fluoroanilino)methyl]pentan-3-ol
CID 107573798
2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol
CID 59095256

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-fluorophenyl)propan-2-ol?
The IUPAC name of 2-(3,5-dichloro-4-fluorophenyl)propan-2-ol (CID 117318974) is 2-(3,5-dichloro-4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(3,5-dichloro-4-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-(3,5-dichloro-4-fluorophenyl)propan-2-ol is CC(C)(O)c1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 2-(3,5-dichloro-4-fluorophenyl)propan-2-ol?
The InChIKey is IWVXCQWPXOGHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2FO/c1-9(2,13)5-3-6(10)8(12)7(11)4-5/h3-4,13H,1-2H3.
What are the key properties of 2-(3,5-dichloro-4-fluorophenyl)propan-2-ol?
2-(3,5-dichloro-4-fluorophenyl)propan-2-ol has a molecular weight of 223.07 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 117318974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).