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

C7H11F3N2O2 — CID 90081804

IUPACN'-(3,3,3-trifluoropropyl)butanediamide
SMILESNC(=O)CCC(=O)NCCC(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)3-4-12-6(14)2-1-5(11)13/h1-4H2,(H2,11,13)(H,12,14)
InChIKeyBDBIBRDNIFFYLE-UHFFFAOYSA-N
MW212.17 g/mol
LogP0.32
Rot. Bonds5

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

N'-(3,3,3-trifluoropropyl)butanediamide (PubChem CID 90081804) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is N'-(3,3,3-trifluoropropyl)butanediamide.

Molecular Properties

Compound NameN'-(3,3,3-trifluoropropyl)butanediamide
PubChem CID90081804
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC NameN'-(3,3,3-trifluoropropyl)butanediamide
SMILESNC(=O)CCC(=O)NCCC(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)3-4-12-6(14)2-1-5(11)13/h1-4H2,(H2,11,13)(H,12,14)
InChIKeyBDBIBRDNIFFYLE-UHFFFAOYSA-N
XLogP0.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 50.32
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,N'-Bis(heptafluorobutyryl)putrescine
CID 614611
2,2,3,3,4,4,4-Heptafluoro-n-propylbutanamide
CID 614782
N,N'-bis(Perfluorobutanoyl)1,6-hexanediamine
CID 4396391
N,N'-bis(Perfluorobutanoyl)1,5-pentanediamine
CID 3089628
N,N'-bis(Perfluorobutanoyl)1,3-propanediamine
CID 3817196
2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86102547
N-butyl-2,2-difluoropropanamide
CID 88580779
Acetamide, 2,2,2-trifluoro-N-(4-oxobutyl)-
CID 11126922
n-Ethylsuccinamide
CID 15470086
2,2,3,3-tetrafluoro-N,N'-dipropylbutanediamide
CID 2292957
1,4-Diaminobutane di-PFP
CID 600497

Frequently Asked Questions

What is the IUPAC name of N'-(3,3,3-trifluoropropyl)butanediamide?
The IUPAC name of N'-(3,3,3-trifluoropropyl)butanediamide (CID 90081804) is N'-(3,3,3-trifluoropropyl)butanediamide.
What is the SMILES notation for N'-(3,3,3-trifluoropropyl)butanediamide?
The canonical SMILES for N'-(3,3,3-trifluoropropyl)butanediamide is NC(=O)CCC(=O)NCCC(F)(F)F.
What is the InChIKey of N'-(3,3,3-trifluoropropyl)butanediamide?
The InChIKey is BDBIBRDNIFFYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c8-7(9,10)3-4-12-6(14)2-1-5(11)13/h1-4H2,(H2,11,13)(H,12,14).
What are the key properties of N'-(3,3,3-trifluoropropyl)butanediamide?
N'-(3,3,3-trifluoropropyl)butanediamide has a molecular weight of 212.17 g/mol, XLogP of 0.32, 5 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)butanediamide is sourced from PubChem (CID 90081804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).