3,4,4-trifluorobutanamide

C4H6F3NO — CID 18376727

IUPAC3,4,4-trifluorobutanamide
SMILESNC(=O)CC(F)C(F)F
InChIInChI=1S/C4H6F3NO/c5-2(4(6)7)1-3(8)9/h2,4H,1H2,(H2,8,9)
InChIKeyNSRPNQLNRMFGGW-UHFFFAOYSA-N
MW141.09 g/mol
LogP0.47
Rot. Bonds3

About 3,4,4-trifluorobutanamide

3,4,4-trifluorobutanamide (PubChem CID 18376727) has the molecular formula C4H6F3NO and a molecular weight of 141.09 g/mol. Its IUPAC name is 3,4,4-trifluorobutanamide.

Molecular Properties

Compound Name3,4,4-trifluorobutanamide
PubChem CID18376727
Molecular FormulaC4H6F3NO
Molecular Weight141.09 g/mol
Exact Mass141.04
IUPAC Name3,4,4-trifluorobutanamide
SMILESNC(=O)CC(F)C(F)F
InChIInChI=1S/C4H6F3NO/c5-2(4(6)7)1-3(8)9/h2,4H,1H2,(H2,8,9)
InChIKeyNSRPNQLNRMFGGW-UHFFFAOYSA-N
XLogP0.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.09
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,4-Trifluorobutanamide
CID 1272518
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
2,3-Difluoropropanamide
CID 19982783

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trifluorobutanamide?
The IUPAC name of 3,4,4-trifluorobutanamide (CID 18376727) is 3,4,4-trifluorobutanamide.
What is the SMILES notation for 3,4,4-trifluorobutanamide?
The canonical SMILES for 3,4,4-trifluorobutanamide is NC(=O)CC(F)C(F)F.
What is the InChIKey of 3,4,4-trifluorobutanamide?
The InChIKey is NSRPNQLNRMFGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO/c5-2(4(6)7)1-3(8)9/h2,4H,1H2,(H2,8,9).
What are the key properties of 3,4,4-trifluorobutanamide?
3,4,4-trifluorobutanamide has a molecular weight of 141.09 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trifluorobutanamide is sourced from PubChem (CID 18376727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).