2,2,2-trifluoroacetic acid;5-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine

C8H10F6N2O2 — CID 18428467

IUPAC2,2,2-trifluoroacetic acid;5-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESNC1=NCCCC1C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H9F3N2.C2HF3O2/c7-6(8,9)4-2-1-3-11-5(4)10;3-2(4,5)1(6)7/h4H,1-3H2,(H2,10,11);(H,6,7)
InChIKeyCTZRTCUHCHLHHV-UHFFFAOYSA-N
MW280.17 g/mol
LogP1.95
Rot. Bonds

About 2,2,2-trifluoroacetic acid;5-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine

2,2,2-trifluoroacetic acid;5-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 18428467) has the molecular formula C8H10F6N2O2 and a molecular weight of 280.17 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;5-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;5-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID18428467
Molecular FormulaC8H10F6N2O2
Molecular Weight280.17 g/mol
Exact Mass280.06
IUPAC Name2,2,2-trifluoroacetic acid;5-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESNC1=NCCCC1C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H9F3N2.C2HF3O2/c7-6(8,9)4-2-1-3-11-5(4)10;3-2(4,5)1(6)7/h4H,1-3H2,(H2,10,11);(H,6,7)
InChIKeyCTZRTCUHCHLHHV-UHFFFAOYSA-N
XLogP1.95
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropanamine;bis(2,2,2-trifluoroacetic acid)
CID 162300046
cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 68531631
2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid;hydrochloride
CID 70148163
3,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 67427616
bicyclo[2.2.2]octane;bis(2,2,2-trifluoroacetic acid)
CID 87462470
cyclopentanol;2,2,2-trifluoroacetic acid
CID 175723828
cyclobutanecarbaldehyde;2,2,2-trifluoroacetic acid
CID 175323512
oxophosphanium;2,2,2-trifluoroacetic acid
CID 175810301
2,2-difluoro-2-(2-oxocyclohexyl)acetic acid
CID 84719815
1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid
CID 71116090
cyclooctylhydrazine;2,2,2-trifluoroacetic acid
CID 68818216
(2S)-2-(trifluoromethyl)cyclohexan-1-one
CID 7021848

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;5-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of 2,2,2-trifluoroacetic acid;5-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 18428467) is 2,2,2-trifluoroacetic acid;5-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;5-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for 2,2,2-trifluoroacetic acid;5-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine is NC1=NCCCC1C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;5-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is CTZRTCUHCHLHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2.C2HF3O2/c7-6(8,9)4-2-1-3-11-5(4)10;3-2(4,5)1(6)7/h4H,1-3H2,(H2,10,11);(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;5-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine?
2,2,2-trifluoroacetic acid;5-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 280.17 g/mol, XLogP of 1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;5-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 18428467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).