2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol

C9H8ClF3O — CID 117113620

IUPAC2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol
SMILESCC(CO)c1cc(F)c(F)c(Cl)c1F
InChIInChI=1S/C9H8ClF3O/c1-4(3-14)5-2-6(11)9(13)7(10)8(5)12/h2,4,14H,3H2,1H3
InChIKeyZADHVSJDWFYIPT-UHFFFAOYSA-N
MW224.61 g/mol
LogP2.85
Rot. Bonds2

About 2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol

2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol (PubChem CID 117113620) has the molecular formula C9H8ClF3O and a molecular weight of 224.61 g/mol. Its IUPAC name is 2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol
PubChem CID117113620
Molecular FormulaC9H8ClF3O
Molecular Weight224.61 g/mol
Exact Mass224.02
IUPAC Name2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol
SMILESCC(CO)c1cc(F)c(F)c(Cl)c1F
InChIInChI=1S/C9H8ClF3O/c1-4(3-14)5-2-6(11)9(13)7(10)8(5)12/h2,4,14H,3H2,1H3
InChIKeyZADHVSJDWFYIPT-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-2,4,5-trifluorophenyl)ethanol
CID 117113843
2-amino-2-(3-chloro-2,4,5-trifluorophenyl)ethanol
CID 117115476
2-(2,3,5-trifluorophenyl)propan-1-ol
CID 59218730
2-(2,4,5-trifluoro-3-methoxyphenyl)propan-1-ol
CID 117113623
2-(3-chloro-2,5-difluorophenyl)propan-1-ol
CID 117295350
2-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol
CID 117291192
2-(5-chloro-2-fluoro-3-methylphenyl)propan-1-ol
CID 117291198
ethane;2-(3,4,5-trifluorophenyl)propan-1-ol
CID 143774717
2-(4-chloro-3,5-difluorophenyl)propan-1-ol
CID 117295346
2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
CID 117378642
2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol
CID 117345755
2-(2-chloro-3,6-difluorophenyl)propan-1-ol
CID 117295344

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol?
The IUPAC name of 2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol (CID 117113620) is 2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol?
The canonical SMILES for 2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol is CC(CO)c1cc(F)c(F)c(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol?
The InChIKey is ZADHVSJDWFYIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O/c1-4(3-14)5-2-6(11)9(13)7(10)8(5)12/h2,4,14H,3H2,1H3.
What are the key properties of 2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol?
2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol has a molecular weight of 224.61 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol is sourced from PubChem (CID 117113620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).