N-(4-aminobutyl)-2,2,3,3,3-pentafluoropropanamide;hydrochloride

C7H12ClF5N2O — CID 140860233

IUPACN-(4-aminobutyl)-2,2,3,3,3-pentafluoropropanamide;hydrochloride
SMILESCl.NCCCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H11F5N2O.ClH/c8-6(9,7(10,11)12)5(15)14-4-2-1-3-13;/h1-4,13H2,(H,14,15);1H
InChIKeyONDVSUIUUGOHRK-UHFFFAOYSA-N
MW270.63 g/mol
LogP1.46
Rot. Bonds5

About N-(4-aminobutyl)-2,2,3,3,3-pentafluoropropanamide;hydrochloride

N-(4-aminobutyl)-2,2,3,3,3-pentafluoropropanamide;hydrochloride (PubChem CID 140860233) has the molecular formula C7H12ClF5N2O and a molecular weight of 270.63 g/mol. Its IUPAC name is N-(4-aminobutyl)-2,2,3,3,3-pentafluoropropanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminobutyl)-2,2,3,3,3-pentafluoropropanamide;hydrochloride
PubChem CID140860233
Molecular FormulaC7H12ClF5N2O
Molecular Weight270.63 g/mol
Exact Mass270.06
IUPAC NameN-(4-aminobutyl)-2,2,3,3,3-pentafluoropropanamide;hydrochloride
SMILESCl.NCCCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H11F5N2O.ClH/c8-6(9,7(10,11)12)5(15)14-4-2-1-3-13;/h1-4,13H2,(H,14,15);1H
InChIKeyONDVSUIUUGOHRK-UHFFFAOYSA-N
XLogP1.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.63
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide
CID 3089717
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[7-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoylamino)heptyl]nonanamide
CID 3089716
N-(4-aminobutyl)-2,2-dimethylbutanamide
CID 62677618
2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-[6-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoylamino)hexyl]hexanamide
CID 177421303
2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide
CID 648321
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)propyl]octanamide
CID 3746335
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2,2,3,3,4,4,4-heptafluorobutanoylamino)hexanamide
CID 10301860
2,2,3,3,3-pentafluoro-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
CID 106433423
2-[methyl-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]amino]ethanesulfonic acid
CID 23563877
6-(2,2,3,3,4,4,4-heptafluorobutanoylamino)hexyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91736164
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-pentylnonanamide
CID 4165117
N-(2-aminoethyl)-2-bromo-2,2-difluoroacetamide;hydrochloride
CID 131677187

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2,2,3,3,3-pentafluoropropanamide;hydrochloride?
The IUPAC name of N-(4-aminobutyl)-2,2,3,3,3-pentafluoropropanamide;hydrochloride (CID 140860233) is N-(4-aminobutyl)-2,2,3,3,3-pentafluoropropanamide;hydrochloride.
What is the SMILES notation for N-(4-aminobutyl)-2,2,3,3,3-pentafluoropropanamide;hydrochloride?
The canonical SMILES for N-(4-aminobutyl)-2,2,3,3,3-pentafluoropropanamide;hydrochloride is Cl.NCCCCNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(4-aminobutyl)-2,2,3,3,3-pentafluoropropanamide;hydrochloride?
The InChIKey is ONDVSUIUUGOHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5N2O.ClH/c8-6(9,7(10,11)12)5(15)14-4-2-1-3-13;/h1-4,13H2,(H,14,15);1H.
What are the key properties of N-(4-aminobutyl)-2,2,3,3,3-pentafluoropropanamide;hydrochloride?
N-(4-aminobutyl)-2,2,3,3,3-pentafluoropropanamide;hydrochloride has a molecular weight of 270.63 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2,2,3,3,3-pentafluoropropanamide;hydrochloride is sourced from PubChem (CID 140860233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).