3-[4-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol

C9H6F3NO — CID 102708599

IUPAC3-[4-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol
SMILESOCC#Cc1cnccc1C(F)(F)F
InChIInChI=1S/C9H6F3NO/c10-9(11,12)8-3-4-13-6-7(8)2-1-5-14/h3-4,6,14H,5H2
InChIKeyJTYQCUFVEPQBJL-UHFFFAOYSA-N
MW201.15 g/mol
LogP1.44
Rot. Bonds

About 3-[4-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol

3-[4-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol (PubChem CID 102708599) has the molecular formula C9H6F3NO and a molecular weight of 201.15 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol
PubChem CID102708599
Molecular FormulaC9H6F3NO
Molecular Weight201.15 g/mol
Exact Mass201.04
IUPAC Name3-[4-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol
SMILESOCC#Cc1cnccc1C(F)(F)F
InChIInChI=1S/C9H6F3NO/c10-9(11,12)8-3-4-13-6-7(8)2-1-5-14/h3-4,6,14H,5H2
InChIKeyJTYQCUFVEPQBJL-UHFFFAOYSA-N
XLogP1.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-(trifluoromethyl)-3-pyridinyl]but-3-ynenitrile
CID 170475191
N-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-amine
CID 102708608
3-(5-chloropent-1-ynyl)-4-(trifluoromethyl)pyridine
CID 102708602
3-[4-chloro-2-(trifluoromethyl)phenyl]prop-2-yn-1-ol
CID 169485374
4-(trifluoromethyl)pyridin-3-ol
CID 25210497
3-(1-methylpyrrolo[2,3-c]pyridin-3-yl)prop-2-yn-1-ol
CID 143836551
N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-4-carboxamide
CID 66484013
3,3-difluoro-3-[4-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 162738026
N-[4-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 135084117
3-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]prop-2-yn-1-ol
CID 169485542
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol (CID 102708599) is 3-[4-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol is OCC#Cc1cnccc1C(F)(F)F.
What is the InChIKey of 3-[4-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol?
The InChIKey is JTYQCUFVEPQBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO/c10-9(11,12)8-3-4-13-6-7(8)2-1-5-14/h3-4,6,14H,5H2.
What are the key properties of 3-[4-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol?
3-[4-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol has a molecular weight of 201.15 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol is sourced from PubChem (CID 102708599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).