3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane

C11H17F3N2O — CID 145489922

IUPAC3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane
SMILESCC.NC(CCO)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C9H11F3N2O.C2H6/c10-9(11,12)8-2-1-6(5-14-8)7(13)3-4-15;1-2/h1-2,5,7,15H,3-4,13H2;1-2H3
InChIKeyQWPJPDSLPVNYHC-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.51
Rot. Bonds3

About 3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane

3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane (PubChem CID 145489922) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane.

Molecular Properties

Compound Name3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane
PubChem CID145489922
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane
SMILESCC.NC(CCO)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C9H11F3N2O.C2H6/c10-9(11,12)8-2-1-6(5-14-8)7(13)3-4-15;1-2/h1-2,5,7,15H,3-4,13H2;1-2H3
InChIKeyQWPJPDSLPVNYHC-UHFFFAOYSA-N
XLogP2.51
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol
CID 55269772
[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium
CID 164715814
(3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride
CID 171203341
5-(1-iodoethyl)-2-(trifluoromethyl)pyridine
CID 142294771
2-methylpyrrolidine;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 171924551
3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170874858
1-[6-(trifluoromethyl)-3-pyridinyl]ethylhydrazine;hydrochloride
CID 137356558
5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine
CID 66695263
5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile
CID 55293167
3-amino-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-ol
CID 170875003
3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170875067
(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine
CID 130664334

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane?
The IUPAC name of 3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane (CID 145489922) is 3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane.
What is the SMILES notation for 3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane?
The canonical SMILES for 3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane is CC.NC(CCO)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane?
The InChIKey is QWPJPDSLPVNYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O.C2H6/c10-9(11,12)8-2-1-6(5-14-8)7(13)3-4-15;1-2/h1-2,5,7,15H,3-4,13H2;1-2H3.
What are the key properties of 3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane?
3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane has a molecular weight of 250.26 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane is sourced from PubChem (CID 145489922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).