N,N-diethyl-2-(6,6,6-trifluorohexan-2-ylamino)propanamide

C13H25F3N2O — CID 116534471

IUPACN,N-diethyl-2-(6,6,6-trifluorohexan-2-ylamino)propanamide
SMILESCCN(CC)C(=O)C(C)NC(C)CCCC(F)(F)F
InChIInChI=1S/C13H25F3N2O/c1-5-18(6-2)12(19)11(4)17-10(3)8-7-9-13(14,15)16/h10-11,17H,5-9H2,1-4H3
InChIKeyQILYDUOAXGBYFM-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.95
Rot. Bonds8

About N,N-diethyl-2-(6,6,6-trifluorohexan-2-ylamino)propanamide

N,N-diethyl-2-(6,6,6-trifluorohexan-2-ylamino)propanamide (PubChem CID 116534471) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is N,N-diethyl-2-(6,6,6-trifluorohexan-2-ylamino)propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-(6,6,6-trifluorohexan-2-ylamino)propanamide
PubChem CID116534471
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC NameN,N-diethyl-2-(6,6,6-trifluorohexan-2-ylamino)propanamide
SMILESCCN(CC)C(=O)C(C)NC(C)CCCC(F)(F)F
InChIInChI=1S/C13H25F3N2O/c1-5-18(6-2)12(19)11(4)17-10(3)8-7-9-13(14,15)16/h10-11,17H,5-9H2,1-4H3
InChIKeyQILYDUOAXGBYFM-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-(pentan-2-ylamino)propanamide
CID 43113164
2-(1-aminopropan-2-ylamino)-N,N-diethylpropanamide
CID 103388840
N,N-diethyl-2-(1-methylsulfanylpropan-2-ylamino)propanamide
CID 115639005
N,N-diethyl-2-(4-phenylbutan-2-ylamino)propanamide
CID 43425172
5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine
CID 116534085
N,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
CID 62996918
N,N-diethyl-2-(3-fluoropropylamino)propanamide
CID 115731800
tert-butyl N-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate
CID 107248523
6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylpropanamide
CID 61219994
2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide
CID 103388839
N,N-diethyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 64754869

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(6,6,6-trifluorohexan-2-ylamino)propanamide?
The IUPAC name of N,N-diethyl-2-(6,6,6-trifluorohexan-2-ylamino)propanamide (CID 116534471) is N,N-diethyl-2-(6,6,6-trifluorohexan-2-ylamino)propanamide.
What is the SMILES notation for N,N-diethyl-2-(6,6,6-trifluorohexan-2-ylamino)propanamide?
The canonical SMILES for N,N-diethyl-2-(6,6,6-trifluorohexan-2-ylamino)propanamide is CCN(CC)C(=O)C(C)NC(C)CCCC(F)(F)F.
What is the InChIKey of N,N-diethyl-2-(6,6,6-trifluorohexan-2-ylamino)propanamide?
The InChIKey is QILYDUOAXGBYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-5-18(6-2)12(19)11(4)17-10(3)8-7-9-13(14,15)16/h10-11,17H,5-9H2,1-4H3.
What are the key properties of N,N-diethyl-2-(6,6,6-trifluorohexan-2-ylamino)propanamide?
N,N-diethyl-2-(6,6,6-trifluorohexan-2-ylamino)propanamide has a molecular weight of 282.35 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(6,6,6-trifluorohexan-2-ylamino)propanamide is sourced from PubChem (CID 116534471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).