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

C9H8ClF3O — CID 117114545

IUPAC1-(4-chloro-2,3,5-trifluorophenyl)propan-2-ol
SMILESCC(O)Cc1cc(F)c(Cl)c(F)c1F
InChIInChI=1S/C9H8ClF3O/c1-4(14)2-5-3-6(11)7(10)9(13)8(5)12/h3-4,14H,2H2,1H3
InChIKeyVRSCWSTVZDIQIH-UHFFFAOYSA-N
MW224.61 g/mol
LogP2.68
Rot. Bonds2

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

1-(4-chloro-2,3,5-trifluorophenyl)propan-2-ol (PubChem CID 117114545) has the molecular formula C9H8ClF3O and a molecular weight of 224.61 g/mol. Its IUPAC name is 1-(4-chloro-2,3,5-trifluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-2,3,5-trifluorophenyl)propan-2-ol
PubChem CID117114545
Molecular FormulaC9H8ClF3O
Molecular Weight224.61 g/mol
Exact Mass224.02
IUPAC Name1-(4-chloro-2,3,5-trifluorophenyl)propan-2-ol
SMILESCC(O)Cc1cc(F)c(Cl)c(F)c1F
InChIInChI=1S/C9H8ClF3O/c1-4(14)2-5-3-6(11)7(10)9(13)8(5)12/h3-4,14H,2H2,1H3
InChIKeyVRSCWSTVZDIQIH-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
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-(4-bromo-2,3,5-trifluorophenyl)propan-2-ol
CID 117114546
6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol
CID 117318846
1-(2,3,5-trifluoro-4-methylsulfonylphenyl)propan-2-ol
CID 117424014
4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol
CID 117293006
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 117374936
(4-chloro-2,3,5-trifluorophenyl)methanamine
CID 117110798
1-(2-bromo-5-chlorophenyl)propan-2-ol
CID 117377789
1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol
CID 117311648
1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol
CID 174763892
3-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpropanoic acid
CID 117416062
4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol
CID 117341360
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol
CID 117328885

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,3,5-trifluorophenyl)propan-2-ol?
The IUPAC name of 1-(4-chloro-2,3,5-trifluorophenyl)propan-2-ol (CID 117114545) is 1-(4-chloro-2,3,5-trifluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-2,3,5-trifluorophenyl)propan-2-ol?
The canonical SMILES for 1-(4-chloro-2,3,5-trifluorophenyl)propan-2-ol is CC(O)Cc1cc(F)c(Cl)c(F)c1F.
What is the InChIKey of 1-(4-chloro-2,3,5-trifluorophenyl)propan-2-ol?
The InChIKey is VRSCWSTVZDIQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O/c1-4(14)2-5-3-6(11)7(10)9(13)8(5)12/h3-4,14H,2H2,1H3.
What are the key properties of 1-(4-chloro-2,3,5-trifluorophenyl)propan-2-ol?
1-(4-chloro-2,3,5-trifluorophenyl)propan-2-ol has a molecular weight of 224.61 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,3,5-trifluorophenyl)propan-2-ol is sourced from PubChem (CID 117114545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).