3,3,3-trifluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)propanamide

C10H12F6N2O — CID 103310457

IUPAC3,3,3-trifluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)propanamide
SMILESO=C(NCC1=CCNCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6N2O/c11-9(12,13)7(10(14,15)16)8(19)18-5-6-1-3-17-4-2-6/h1,7,17H,2-5H2,(H,18,19)
InChIKeyUVFABSXUFHWRLZ-UHFFFAOYSA-N
MW290.21 g/mol
LogP1.76
Rot. Bonds3

About 3,3,3-trifluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)propanamide (PubChem CID 103310457) has the molecular formula C10H12F6N2O and a molecular weight of 290.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)propanamide
PubChem CID103310457
Molecular FormulaC10H12F6N2O
Molecular Weight290.21 g/mol
Exact Mass290.09
IUPAC Name3,3,3-trifluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)propanamide
SMILESO=C(NCC1=CCNCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6N2O/c11-9(12,13)7(10(14,15)16)8(19)18-5-6-1-3-17-4-2-6/h1,7,17H,2-5H2,(H,18,19)
InChIKeyUVFABSXUFHWRLZ-UHFFFAOYSA-N
XLogP1.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 51.76
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

N-{[1-(3,3,4,4,4-pentafluorobutyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}acetamide
CID 50962805
(E)-2-methyl-N-(2,2,2-trifluoroethyl)pent-3-enamide
CID 126747436
N-[[3,6-bis(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methyl]pent-4-enamide
CID 142892627
2-methyl-N-[(3Z)-2-methylidene-5-(trifluoromethyl)hexa-3,5-dienyl]propanamide
CID 153344451
ethane;(3E)-5-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)hexa-3,5-dienamide
CID 166470367
2,2,2-trifluoro-N-(3-methylpent-3-enyl)acetamide
CID 173618706
3,3,3-trifluoro-N-[(E)-pent-3-enyl]-2-(trifluoromethyl)propanamide
CID 103310128
2,2-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
CID 103514298
N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103732113
2,2,3,3-tetrafluoro-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 103856756
azetidin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 104437943
2,2,3,3-tetrafluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
CID 104954964

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)propanamide (CID 103310457) is 3,3,3-trifluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)propanamide is O=C(NCC1=CCNCC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)propanamide?
The InChIKey is UVFABSXUFHWRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6N2O/c11-9(12,13)7(10(14,15)16)8(19)18-5-6-1-3-17-4-2-6/h1,7,17H,2-5H2,(H,18,19).
What are the key properties of 3,3,3-trifluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)propanamide has a molecular weight of 290.21 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).