N'-(3,3,3-trifluoropropyl)propanediamide

C6H9F3N2O2 — CID 87615289

IUPACN'-(3,3,3-trifluoropropyl)propanediamide
SMILESNC(=O)CC(=O)NCCC(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)1-2-11-5(13)3-4(10)12/h1-3H2,(H2,10,12)(H,11,13)
InChIKeyGBYBIJFTNBNADC-UHFFFAOYSA-N
MW198.14 g/mol
LogP-0.07
Rot. Bonds4

About N'-(3,3,3-trifluoropropyl)propanediamide

N'-(3,3,3-trifluoropropyl)propanediamide (PubChem CID 87615289) has the molecular formula C6H9F3N2O2 and a molecular weight of 198.14 g/mol. Its IUPAC name is N'-(3,3,3-trifluoropropyl)propanediamide.

Molecular Properties

Compound NameN'-(3,3,3-trifluoropropyl)propanediamide
PubChem CID87615289
Molecular FormulaC6H9F3N2O2
Molecular Weight198.14 g/mol
Exact Mass198.06
IUPAC NameN'-(3,3,3-trifluoropropyl)propanediamide
SMILESNC(=O)CC(=O)NCCC(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)1-2-11-5(13)3-4(10)12/h1-3H2,(H2,10,12)(H,11,13)
InChIKeyGBYBIJFTNBNADC-UHFFFAOYSA-N
XLogP-0.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3-Tetrafluoro-N-[3-(2,2,3,3-tetrafluoro-propionylamino)-propyl]-propionamide
CID 648167
N,N'-bis(Perfluorobutanoyl)1,3-propanediamine
CID 3817196
N-(3-aminopropyl)-2,2,2-trifluoroacetamide hydrochloride
CID 71752754
N,N'-(Iminodi-3,1-propanediyl)bis[2,2,2-trifluoroacetamide]
CID 11676468
2,2,2-trifluoro-N-(3-(methylamino)propyl)acetamide
CID 58587431
3,3-Difluoro-1,5-diazocan-2-one
CID 132398589
3,3-Difluoro-1,5-diazonan-2-one
CID 138040488
15,15-Difluoro-1,4,7,10,13-pentazacyclohexadecane-14,16-dione
CID 86054607
N,N'-diethylpropanediamide
CID 4600245
N-ethylpropanediamide
CID 14686248
1,4-Diaminobutane di-PFP
CID 600497
1,3-Diaminopropane di-PFP
CID 600698

Frequently Asked Questions

What is the IUPAC name of N'-(3,3,3-trifluoropropyl)propanediamide?
The IUPAC name of N'-(3,3,3-trifluoropropyl)propanediamide (CID 87615289) is N'-(3,3,3-trifluoropropyl)propanediamide.
What is the SMILES notation for N'-(3,3,3-trifluoropropyl)propanediamide?
The canonical SMILES for N'-(3,3,3-trifluoropropyl)propanediamide is NC(=O)CC(=O)NCCC(F)(F)F.
What is the InChIKey of N'-(3,3,3-trifluoropropyl)propanediamide?
The InChIKey is GBYBIJFTNBNADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2/c7-6(8,9)1-2-11-5(13)3-4(10)12/h1-3H2,(H2,10,12)(H,11,13).
What are the key properties of N'-(3,3,3-trifluoropropyl)propanediamide?
N'-(3,3,3-trifluoropropyl)propanediamide has a molecular weight of 198.14 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3,3-trifluoropropyl)propanediamide is sourced from PubChem (CID 87615289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).