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

C9H9F3O — CID 59218730

IUPAC2-(2,3,5-trifluorophenyl)propan-1-ol
SMILESCC(CO)c1cc(F)cc(F)c1F
InChIInChI=1S/C9H9F3O/c1-5(4-13)7-2-6(10)3-8(11)9(7)12/h2-3,5,13H,4H2,1H3
InChIKeySKTYHXXZXHXDMR-UHFFFAOYSA-N
MW190.16 g/mol
LogP2.20
Rot. Bonds2

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

2-(2,3,5-trifluorophenyl)propan-1-ol (PubChem CID 59218730) has the molecular formula C9H9F3O and a molecular weight of 190.16 g/mol. Its IUPAC name is 2-(2,3,5-trifluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(2,3,5-trifluorophenyl)propan-1-ol
PubChem CID59218730
Molecular FormulaC9H9F3O
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Name2-(2,3,5-trifluorophenyl)propan-1-ol
SMILESCC(CO)c1cc(F)cc(F)c1F
InChIInChI=1S/C9H9F3O/c1-5(4-13)7-2-6(10)3-8(11)9(7)12/h2-3,5,13H,4H2,1H3
InChIKeySKTYHXXZXHXDMR-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 52.20
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

2-(3-chloro-2,5-difluorophenyl)propan-1-ol
CID 117295350
2-(2,3,5-trifluorophenyl)propan-1-amine
CID 115113253
2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol
CID 117113620
2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
CID 117378642
2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol
CID 130597949
2-(2,4,5-trifluoro-3-methoxyphenyl)propan-1-ol
CID 117113623
(1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine
CID 131081639
ethane;2-(3,4,5-trifluorophenyl)propan-1-ol
CID 143774717
2-(5-fluoro-1-benzofuran-7-yl)propan-1-ol
CID 117284401
2-(5-chloro-2-fluoro-3-methylphenyl)propan-1-ol
CID 117291198
2-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol
CID 117291192
(3R)-3-amino-2,2-difluoro-3-(2,3,5-trifluorophenyl)propan-1-ol
CID 131611321

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5-trifluorophenyl)propan-1-ol?
The IUPAC name of 2-(2,3,5-trifluorophenyl)propan-1-ol (CID 59218730) is 2-(2,3,5-trifluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(2,3,5-trifluorophenyl)propan-1-ol?
The canonical SMILES for 2-(2,3,5-trifluorophenyl)propan-1-ol is CC(CO)c1cc(F)cc(F)c1F.
What is the InChIKey of 2-(2,3,5-trifluorophenyl)propan-1-ol?
The InChIKey is SKTYHXXZXHXDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O/c1-5(4-13)7-2-6(10)3-8(11)9(7)12/h2-3,5,13H,4H2,1H3.
What are the key properties of 2-(2,3,5-trifluorophenyl)propan-1-ol?
2-(2,3,5-trifluorophenyl)propan-1-ol has a molecular weight of 190.16 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5-trifluorophenyl)propan-1-ol is sourced from PubChem (CID 59218730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).