N-ethyl-3,4,4,4-tetrafluorobutanamide

C6H9F4NO — CID 18730829

IUPACN-ethyl-3,4,4,4-tetrafluorobutanamide
SMILESCCNC(=O)CC(F)C(F)(F)F
InChIInChI=1S/C6H9F4NO/c1-2-11-5(12)3-4(7)6(8,9)10/h4H,2-3H2,1H3,(H,11,12)
InChIKeyHNHZPTNJHNKHAI-UHFFFAOYSA-N
MW187.14 g/mol
LogP1.41
Rot. Bonds3

About N-ethyl-3,4,4,4-tetrafluorobutanamide

N-ethyl-3,4,4,4-tetrafluorobutanamide (PubChem CID 18730829) has the molecular formula C6H9F4NO and a molecular weight of 187.14 g/mol. Its IUPAC name is N-ethyl-3,4,4,4-tetrafluorobutanamide.

Molecular Properties

Compound NameN-ethyl-3,4,4,4-tetrafluorobutanamide
PubChem CID18730829
Molecular FormulaC6H9F4NO
Molecular Weight187.14 g/mol
Exact Mass187.06
IUPAC NameN-ethyl-3,4,4,4-tetrafluorobutanamide
SMILESCCNC(=O)CC(F)C(F)(F)F
InChIInChI=1S/C6H9F4NO/c1-2-11-5(12)3-4(7)6(8,9)10/h4H,2-3H2,1H3,(H,11,12)
InChIKeyHNHZPTNJHNKHAI-UHFFFAOYSA-N
XLogP1.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.14
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-Trifluoro-N-[4-(2,2,2-trifluoro-acetylamino)-butyl]-acetamide
CID 581000
2,2,3,3,4,4,4-Heptafluoro-N-(2-methylpropyl)butanamide
CID 534742
N-Butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4196056
N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4218327
Methylamine, N-heptafluorobutyryl-
CID 13794570
N-Butyltrifluoroacetamide
CID 283366
2,2,3,3,4,4,4-Heptafluoro-N-hexylbutanamide
CID 540603
2,2,3,3,4,4,4-Heptafluoro-n-undecylbutanamide
CID 607665
N,N'-Bis(heptafluorobutyryl)putrescine
CID 614611
n-Butyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614617
2,2,3,3,4,4,4-Heptafluoro-n-pentylbutanamide
CID 614724
2,2,3,3,4,4,4-Heptafluoro-n-propylbutanamide
CID 614782

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4,4,4-tetrafluorobutanamide?
The IUPAC name of N-ethyl-3,4,4,4-tetrafluorobutanamide (CID 18730829) is N-ethyl-3,4,4,4-tetrafluorobutanamide.
What is the SMILES notation for N-ethyl-3,4,4,4-tetrafluorobutanamide?
The canonical SMILES for N-ethyl-3,4,4,4-tetrafluorobutanamide is CCNC(=O)CC(F)C(F)(F)F.
What is the InChIKey of N-ethyl-3,4,4,4-tetrafluorobutanamide?
The InChIKey is HNHZPTNJHNKHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F4NO/c1-2-11-5(12)3-4(7)6(8,9)10/h4H,2-3H2,1H3,(H,11,12).
What are the key properties of N-ethyl-3,4,4,4-tetrafluorobutanamide?
N-ethyl-3,4,4,4-tetrafluorobutanamide has a molecular weight of 187.14 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4,4,4-tetrafluorobutanamide is sourced from PubChem (CID 18730829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).