3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol

C10H10F4O — CID 62791994

IUPAC3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol
SMILESCc1ccc(F)cc1C(O)CC(F)(F)F
InChIInChI=1S/C10H10F4O/c1-6-2-3-7(11)4-8(6)9(15)5-10(12,13)14/h2-4,9,15H,5H2,1H3
InChIKeyIXVFXZFXGVFWJT-UHFFFAOYSA-N
MW222.18 g/mol
LogP3.12
Rot. Bonds2

About 3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol

3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol (PubChem CID 62791994) has the molecular formula C10H10F4O and a molecular weight of 222.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol
PubChem CID62791994
Molecular FormulaC10H10F4O
Molecular Weight222.18 g/mol
Exact Mass222.07
IUPAC Name3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol
SMILESCc1ccc(F)cc1C(O)CC(F)(F)F
InChIInChI=1S/C10H10F4O/c1-6-2-3-7(11)4-8(6)9(15)5-10(12,13)14/h2-4,9,15H,5H2,1H3
InChIKeyIXVFXZFXGVFWJT-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 103694276
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 62790723
3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 61087261
1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol
CID 62791337
1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol
CID 62606774
(1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol
CID 94420605
1-(5-fluoro-2-methylphenyl)pent-4-yn-1-ol
CID 63657486
1-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutan-1-ol
CID 103090072
1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol
CID 62606584
2-ethyl-1-(5-fluoro-2-methylphenyl)butane-1,2-diol
CID 103449382
2-(2-chloro-4-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607143
2-cyclopentyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 62608273

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol (CID 62791994) is 3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol is Cc1ccc(F)cc1C(O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol?
The InChIKey is IXVFXZFXGVFWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4O/c1-6-2-3-7(11)4-8(6)9(15)5-10(12,13)14/h2-4,9,15H,5H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol?
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol has a molecular weight of 222.18 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 62791994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).