4,4,4-trifluorobutanamide

C4H6F3NO — CID 1272518

IUPAC4,4,4-trifluorobutanamide
SMILESNC(=O)CCC(F)(F)F
InChIInChI=1S/C4H6F3NO/c5-4(6,7)2-1-3(8)9/h1-2H2,(H2,8,9)
InChIKeyRRIHBAAFBONJDL-UHFFFAOYSA-N
MW141.09 g/mol
LogP0.81
Rot. Bonds2

About 4,4,4-trifluorobutanamide

4,4,4-trifluorobutanamide (PubChem CID 1272518) has the molecular formula C4H6F3NO and a molecular weight of 141.09 g/mol. Its IUPAC name is 4,4,4-trifluorobutanamide.

Molecular Properties

Compound Name4,4,4-trifluorobutanamide
PubChem CID1272518
Molecular FormulaC4H6F3NO
Molecular Weight141.09 g/mol
Exact Mass141.04
IUPAC Name4,4,4-trifluorobutanamide
SMILESNC(=O)CCC(F)(F)F
InChIInChI=1S/C4H6F3NO/c5-4(6,7)2-1-3(8)9/h1-2H2,(H2,8,9)
InChIKeyRRIHBAAFBONJDL-UHFFFAOYSA-N
XLogP0.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.09
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,3-Trifluoropropanamide
CID 21615038
3,3-Difluoropropanamide
CID 17884235
2,2-Difluorocyclopropane-1-carboxamide
CID 55284166
2.2.3-Trifluor-propionsaeure-amid
CID 18994193
4,4,5,5,5-Pentafluoropentanamide
CID 54092366
3-Fluorobutanamide
CID 87189810
Hexafluoroisopropylacetamide
CID 129794426
4,4,4-Trifluoro-2-(trifluoromethyl)butanamide
CID 14248120
2-(Difluoromethyl)-4,4-difluorobutanamide
CID 138973948
2-Fluorobutanamide
CID 18322417
3,4,4-Trifluorobutanamide
CID 18376727
2,3-Difluoropropanamide
CID 19982783

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluorobutanamide?
The IUPAC name of 4,4,4-trifluorobutanamide (CID 1272518) is 4,4,4-trifluorobutanamide.
What is the SMILES notation for 4,4,4-trifluorobutanamide?
The canonical SMILES for 4,4,4-trifluorobutanamide is NC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluorobutanamide?
The InChIKey is RRIHBAAFBONJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO/c5-4(6,7)2-1-3(8)9/h1-2H2,(H2,8,9).
What are the key properties of 4,4,4-trifluorobutanamide?
4,4,4-trifluorobutanamide has a molecular weight of 141.09 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluorobutanamide is sourced from PubChem (CID 1272518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).