3,4,4,4-tetrafluorobutanamide

C4H5F4NO — CID 143771998

IUPAC3,4,4,4-tetrafluorobutanamide
SMILESNC(=O)CC(F)C(F)(F)F
InChIInChI=1S/C4H5F4NO/c5-2(1-3(9)10)4(6,7)8/h2H,1H2,(H2,9,10)
InChIKeyJXWKJBWCICFAIA-UHFFFAOYSA-N
MW159.08 g/mol
LogP0.76
Rot. Bonds2

About 3,4,4,4-tetrafluorobutanamide

3,4,4,4-tetrafluorobutanamide (PubChem CID 143771998) has the molecular formula C4H5F4NO and a molecular weight of 159.08 g/mol. Its IUPAC name is 3,4,4,4-tetrafluorobutanamide.

Molecular Properties

Compound Name3,4,4,4-tetrafluorobutanamide
PubChem CID143771998
Molecular FormulaC4H5F4NO
Molecular Weight159.08 g/mol
Exact Mass159.03
IUPAC Name3,4,4,4-tetrafluorobutanamide
SMILESNC(=O)CC(F)C(F)(F)F
InChIInChI=1S/C4H5F4NO/c5-2(1-3(9)10)4(6,7)8/h2H,1H2,(H2,9,10)
InChIKeyJXWKJBWCICFAIA-UHFFFAOYSA-N
XLogP0.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.08
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,4-tetrafluorobutanamide?
The IUPAC name of 3,4,4,4-tetrafluorobutanamide (CID 143771998) is 3,4,4,4-tetrafluorobutanamide.
What is the SMILES notation for 3,4,4,4-tetrafluorobutanamide?
The canonical SMILES for 3,4,4,4-tetrafluorobutanamide is NC(=O)CC(F)C(F)(F)F.
What is the InChIKey of 3,4,4,4-tetrafluorobutanamide?
The InChIKey is JXWKJBWCICFAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F4NO/c5-2(1-3(9)10)4(6,7)8/h2H,1H2,(H2,9,10).
What are the key properties of 3,4,4,4-tetrafluorobutanamide?
3,4,4,4-tetrafluorobutanamide has a molecular weight of 159.08 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,4-tetrafluorobutanamide is sourced from PubChem (CID 143771998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).