1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol

C9H10F3NO — CID 127018337

IUPAC1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol
SMILESCc1ccc(C(C)(O)C(F)(F)F)cn1
InChIInChI=1S/C9H10F3NO/c1-6-3-4-7(5-13-6)8(2,14)9(10,11)12/h3-5,14H,1-2H3
InChIKeyZITPLJMUYMKRRE-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.16
Rot. Bonds1

About 1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol

1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol (PubChem CID 127018337) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol
PubChem CID127018337
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol
SMILESCc1ccc(C(C)(O)C(F)(F)F)cn1
InChIInChI=1S/C9H10F3NO/c1-6-3-4-7(5-13-6)8(2,14)9(10,11)12/h3-5,14H,1-2H3
InChIKeyZITPLJMUYMKRRE-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

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Related Compounds

5-(1,1-difluoroethyl)-2-methylpyridine;ethane
CID 145136619
2-methyl-5-(trifluoromethyl)pyridine
CID 18361873
1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 23528246
5-tert-butyl-2-methylpyridine;methane
CID 157425273
5-tert-butyl-2-methylpyridine;ethane
CID 162055015
1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 2748409
(2R)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 7053126
1-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol
CID 63155579
ethane;1,1,1-trifluoro-2-(4-sulfanylphenyl)propan-2-ol
CID 171099400
(1R)-1-iodo-1-(6-methyl-3-pyridinyl)ethanamine
CID 67304354
1-(6-methyl-3-pyridinyl)-1-(5-methylthiophen-2-yl)ethanol
CID 114910603
2-methyl-5-(2-nitrosopropan-2-yl)pyridine
CID 126747574

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol (CID 127018337) is 1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol is Cc1ccc(C(C)(O)C(F)(F)F)cn1.
What is the InChIKey of 1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol?
The InChIKey is ZITPLJMUYMKRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-6-3-4-7(5-13-6)8(2,14)9(10,11)12/h3-5,14H,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol?
1,1,1-trifluoro-2-(6-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-(6-methyl-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 127018337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).