N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide

C12H14F2N2O — CID 113303798

IUPACN-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESO=C(NCC(F)F)c1cccc2c1CCCN2
InChIInChI=1S/C12H14F2N2O/c13-11(14)7-16-12(17)9-3-1-5-10-8(9)4-2-6-15-10/h1,3,5,11,15H,2,4,6-7H2,(H,16,17)
InChIKeyPBADPEKXJRUXJJ-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.04
Rot. Bonds3

About N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide

N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 113303798) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID113303798
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC NameN-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESO=C(NCC(F)F)c1cccc2c1CCCN2
InChIInChI=1S/C12H14F2N2O/c13-11(14)7-16-12(17)9-3-1-5-10-8(9)4-2-6-15-10/h1,3,5,11,15H,2,4,6-7H2,(H,16,17)
InChIKeyPBADPEKXJRUXJJ-UHFFFAOYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid
CID 103157004
N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849698
N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 106336780
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850406
N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850400
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 107852782
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073
N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127025
N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850086
N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 105417100
N-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 104954916
N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63244251

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 113303798) is N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide is O=C(NCC(F)F)c1cccc2c1CCCN2.
What is the InChIKey of N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is PBADPEKXJRUXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-11(14)7-16-12(17)9-3-1-5-10-8(9)4-2-6-15-10/h1,3,5,11,15H,2,4,6-7H2,(H,16,17).
What are the key properties of N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 240.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 113303798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).