1-amino-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol

C9H15F3N2O — CID 114489994

IUPAC1-amino-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
SMILESNCC(O)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)7-1-3-14(4-2-7)6-8(15)5-13/h1,8,15H,2-6,13H2
InChIKeySDGHNSKZDPGROT-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.50
Rot. Bonds3

About 1-amino-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol

1-amino-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol (PubChem CID 114489994) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-amino-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
PubChem CID114489994
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name1-amino-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
SMILESNCC(O)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)7-1-3-14(4-2-7)6-8(15)5-13/h1,8,15H,2-6,13H2
InChIKeySDGHNSKZDPGROT-UHFFFAOYSA-N
XLogP0.50
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 106115050
2-ethoxy-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 114489675
1-piperazin-1-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
CID 114489992
1-amino-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol
CID 114460118

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?
The IUPAC name of 1-amino-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol (CID 114489994) is 1-amino-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol.
What is the SMILES notation for 1-amino-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?
The canonical SMILES for 1-amino-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol is NCC(O)CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 1-amino-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?
The InChIKey is SDGHNSKZDPGROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)7-1-3-14(4-2-7)6-8(15)5-13/h1,8,15H,2-6,13H2.
What are the key properties of 1-amino-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?
1-amino-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol has a molecular weight of 224.23 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol is sourced from PubChem (CID 114489994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).