4-amino-N-(3,3,3-trifluoropropyl)butanamide

C7H13F3N2O — CID 63226654

IUPAC4-amino-N-(3,3,3-trifluoropropyl)butanamide
SMILESNCCCC(=O)NCCC(F)(F)F
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)3-5-12-6(13)2-1-4-11/h1-5,11H2,(H,12,13)
InChIKeyRCMXDMFERDVSQJ-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.79
Rot. Bonds5

About 4-amino-N-(3,3,3-trifluoropropyl)butanamide

4-amino-N-(3,3,3-trifluoropropyl)butanamide (PubChem CID 63226654) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is 4-amino-N-(3,3,3-trifluoropropyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(3,3,3-trifluoropropyl)butanamide
PubChem CID63226654
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name4-amino-N-(3,3,3-trifluoropropyl)butanamide
SMILESNCCCC(=O)NCCC(F)(F)F
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)3-5-12-6(13)2-1-4-11/h1-5,11H2,(H,12,13)
InChIKeyRCMXDMFERDVSQJ-UHFFFAOYSA-N
XLogP0.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoro-N-[4-(2,2,2-trifluoro-acetylamino)-butyl]-acetamide
CID 581000
N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4218327
N-Butyltrifluoroacetamide
CID 283366
N,N'-Bis(heptafluorobutyryl)putrescine
CID 614611
n-Butyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614617
2,2,3,3,4,4,4-Heptafluoro-n-propylbutanamide
CID 614782
2,2,2-Trifluoro-n-propylacetamide
CID 580996
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 5094771
3,3-Difluoropyrrolidin-2-one
CID 45092489
N,N'-bis(Perfluorobutanoyl)1,5-pentanediamine
CID 3089628
N,N'-bis(Perfluorobutanoyl)1,3-propanediamine
CID 3817196
4,4-Difluoropyrrolidin-2-one
CID 68769558

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,3,3-trifluoropropyl)butanamide?
The IUPAC name of 4-amino-N-(3,3,3-trifluoropropyl)butanamide (CID 63226654) is 4-amino-N-(3,3,3-trifluoropropyl)butanamide.
What is the SMILES notation for 4-amino-N-(3,3,3-trifluoropropyl)butanamide?
The canonical SMILES for 4-amino-N-(3,3,3-trifluoropropyl)butanamide is NCCCC(=O)NCCC(F)(F)F.
What is the InChIKey of 4-amino-N-(3,3,3-trifluoropropyl)butanamide?
The InChIKey is RCMXDMFERDVSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c8-7(9,10)3-5-12-6(13)2-1-4-11/h1-5,11H2,(H,12,13).
What are the key properties of 4-amino-N-(3,3,3-trifluoropropyl)butanamide?
4-amino-N-(3,3,3-trifluoropropyl)butanamide has a molecular weight of 198.19 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,3,3-trifluoropropyl)butanamide is sourced from PubChem (CID 63226654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).