1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol

C9H10F3NO — CID 123237942

IUPAC1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol
SMILESCc1cncc(C(C)(O)C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-6-3-7(5-13-4-6)8(2,14)9(10,11)12/h3-5,14H,1-2H3
InChIKeyAYOANFHQYSYHLO-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.16
Rot. Bonds1

About 1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol

1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol (PubChem CID 123237942) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol
PubChem CID123237942
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol
SMILESCc1cncc(C(C)(O)C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-6-3-7(5-13-4-6)8(2,14)9(10,11)12/h3-5,14H,1-2H3
InChIKeyAYOANFHQYSYHLO-UHFFFAOYSA-N
XLogP2.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-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

3-methyl-5-(trifluoromethyl)pyridine
CID 143745835
methyl 5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxylate
CID 124637785
1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 2748409
(2R)-2-amino-2-(5-methyl-3-pyridinyl)propan-1-ol
CID 130987369
(2R)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 7053126
4-amino-2-(5-methyl-3-pyridinyl)butan-2-ol
CID 115375569
4-(5-methyl-3-pyridinyl)heptan-4-ol
CID 114866004
1-methoxy-2-(5-methyl-3-pyridinyl)butan-2-ol
CID 115373723
di(cyclobutyl)-(5-methyl-3-pyridinyl)methanol
CID 112743475
3-methyl-5-(2-nitrosopropan-2-yl)pyridine
CID 134423592
1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 23528246
2-(5-methyl-3-pyridinyl)-1-(propan-2-ylamino)propan-2-ol
CID 115375580

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol (CID 123237942) is 1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol is Cc1cncc(C(C)(O)C(F)(F)F)c1.
What is the InChIKey of 1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol?
The InChIKey is AYOANFHQYSYHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-6-3-7(5-13-4-6)8(2,14)9(10,11)12/h3-5,14H,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol?
1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol has a molecular weight of 205.18 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 123237942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).