2-(3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-amine

C8H13F3N2 — CID 84733158

IUPAC2-(3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(N1CC=CCC1)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c9-8(10,11)7(6-12)13-4-2-1-3-5-13/h1-2,7H,3-6,12H2
InChIKeyZSDVHUUZTHGOSP-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.14
Rot. Bonds2

About 2-(3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-amine

2-(3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 84733158) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID84733158
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name2-(3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(N1CC=CCC1)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c9-8(10,11)7(6-12)13-4-2-1-3-5-13/h1-2,7H,3-6,12H2
InChIKeyZSDVHUUZTHGOSP-UHFFFAOYSA-N
XLogP1.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-6,6,6-trifluorohex-3-enyl]piperazine
CID 167210269
1-N-(1,4-difluorocyclohexa-2,4-dien-1-yl)-2-N,2-N-diethylpropane-1,2-diamine
CID 173219290
ethane;N-methyl-1-(2,2,2-trifluoroethyl)-2,3,4,7-tetrahydroazepin-3-amine
CID 177183491
6-(Trifluoromethyl)-1,2,3,6-tetrahydropyridine;hydrochloride
CID 53441289
6-(Trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 53441290
2-(Trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 55253865
4,4,4-trifluoro-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
CID 113591603
3,3,3-trifluoro-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 113591604
N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]butan-2-amine
CID 113591689
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 114410667
4,4,4-trifluoro-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
CID 114462373
1,1,1-trifluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-amine
CID 114462448

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-amine (CID 84733158) is 2-(3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-amine is NCC(N1CC=CCC1)C(F)(F)F.
What is the InChIKey of 2-(3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is ZSDVHUUZTHGOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c9-8(10,11)7(6-12)13-4-2-1-3-5-13/h1-2,7H,3-6,12H2.
What are the key properties of 2-(3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-amine?
2-(3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 194.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 84733158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).