2,2-difluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine

C7H12F2N2 — CID 105431838

IUPAC2,2-difluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine
SMILESNCC(F)(F)C1=CCNCC1
InChIInChI=1S/C7H12F2N2/c8-7(9,5-10)6-1-3-11-4-2-6/h1,11H,2-5,10H2
InChIKeyLUSXHBHVQBCRDV-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.50
Rot. Bonds2

About 2,2-difluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine

2,2-difluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine (PubChem CID 105431838) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is 2,2-difluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine
PubChem CID105431838
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name2,2-difluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine
SMILESNCC(F)(F)C1=CCNCC1
InChIInChI=1S/C7H12F2N2/c8-7(9,5-10)6-1-3-11-4-2-6/h1,11H,2-5,10H2
InChIKeyLUSXHBHVQBCRDV-UHFFFAOYSA-N
XLogP0.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Trifluoromethyl)-1,2,3,6-tetrahydropyridine hydrochloride
CID 45933625
3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole hydrochloride
CID 155144947
4-Ethyl-1,2,3,6-tetrahydropyridine
CID 21473622
4-(2,2,2-Trifluoroethylidene)piperidine hydrochloride
CID 165949059
(1,2,3,6-Tetrahydropyridin-4-yl)methanamine
CID 20666163
4-(Trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 26985655
4-(3,3,3-Trifluoropropylidene)piperidine
CID 66803203
3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole
CID 117205482
4-Methyl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 118357415
5-(Trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 131587634
5-(Trifluoromethyl)-1,2,3,6-tetrahydropyridine;hydrochloride
CID 155144958
(3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidine
CID 155160725

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
The IUPAC name of 2,2-difluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine (CID 105431838) is 2,2-difluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine is NCC(F)(F)C1=CCNCC1.
What is the InChIKey of 2,2-difluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
The InChIKey is LUSXHBHVQBCRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2/c8-7(9,5-10)6-1-3-11-4-2-6/h1,11H,2-5,10H2.
What are the key properties of 2,2-difluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
2,2-difluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine has a molecular weight of 162.18 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine is sourced from PubChem (CID 105431838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).