N-methyl-3-(3,3,3-trifluoropropylamino)butanamide

C8H15F3N2O — CID 115727214

IUPACN-methyl-3-(3,3,3-trifluoropropylamino)butanamide
SMILESCNC(=O)CC(C)NCCC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-6(5-7(14)12-2)13-4-3-8(9,10)11/h6,13H,3-5H2,1-2H3,(H,12,14)
InChIKeyWPUOAAMGJYLPKG-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.05
Rot. Bonds5

About N-methyl-3-(3,3,3-trifluoropropylamino)butanamide

N-methyl-3-(3,3,3-trifluoropropylamino)butanamide (PubChem CID 115727214) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is N-methyl-3-(3,3,3-trifluoropropylamino)butanamide.

Molecular Properties

Compound NameN-methyl-3-(3,3,3-trifluoropropylamino)butanamide
PubChem CID115727214
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC NameN-methyl-3-(3,3,3-trifluoropropylamino)butanamide
SMILESCNC(=O)CC(C)NCCC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-6(5-7(14)12-2)13-4-3-8(9,10)11/h6,13H,3-5H2,1-2H3,(H,12,14)
InChIKeyWPUOAAMGJYLPKG-UHFFFAOYSA-N
XLogP1.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3,3-trifluoropropylamino)butanamide
CID 115677417
methyl 2-(3,3,3-trifluoropropylamino)propanoate
CID 63226175
6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
3-(5-methoxypentylamino)-N-methylbutanamide
CID 115714834
tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate
CID 103389896
3-[(2-methoxy-2-methylpropyl)amino]-N-methylbutanamide
CID 115728614
2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide
CID 63226957
N-(2-methylbutan-2-yl)-2-(3,3,3-trifluoropropylamino)propanamide
CID 55173400
3-(ethylamino)-N-(2,2,2-trifluoroethoxy)butanamide
CID 82721459
(3R)-3-acetamido-N-methylbutanamide
CID 87931486
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 63226562

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3,3,3-trifluoropropylamino)butanamide?
The IUPAC name of N-methyl-3-(3,3,3-trifluoropropylamino)butanamide (CID 115727214) is N-methyl-3-(3,3,3-trifluoropropylamino)butanamide.
What is the SMILES notation for N-methyl-3-(3,3,3-trifluoropropylamino)butanamide?
The canonical SMILES for N-methyl-3-(3,3,3-trifluoropropylamino)butanamide is CNC(=O)CC(C)NCCC(F)(F)F.
What is the InChIKey of N-methyl-3-(3,3,3-trifluoropropylamino)butanamide?
The InChIKey is WPUOAAMGJYLPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-6(5-7(14)12-2)13-4-3-8(9,10)11/h6,13H,3-5H2,1-2H3,(H,12,14).
What are the key properties of N-methyl-3-(3,3,3-trifluoropropylamino)butanamide?
N-methyl-3-(3,3,3-trifluoropropylamino)butanamide has a molecular weight of 212.21 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3,3,3-trifluoropropylamino)butanamide is sourced from PubChem (CID 115727214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).