N-butyl-2,2,3,3-tetrafluoropropanamide

C7H11F4NO — CID 4464349

IUPACN-butyl-2,2,3,3-tetrafluoropropanamide
SMILESCCCCNC(=O)C(C(F)F)(F)F
InChIInChI=1S/C7H11F4NO/c1-2-3-4-12-6(13)7(10,11)5(8)9/h5H,2-4H2,1H3,(H,12,13)
InChIKeyGCPAFNUBDRSPHW-UHFFFAOYSA-N
MW201.16 g/mol
LogP2.30
Rot. Bonds5

About N-butyl-2,2,3,3-tetrafluoropropanamide

N-butyl-2,2,3,3-tetrafluoropropanamide (PubChem CID 4464349) has the molecular formula C7H11F4NO and a molecular weight of 201.16 g/mol. Its IUPAC name is N-butyl-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-butyl-2,2,3,3-tetrafluoropropanamide
PubChem CID4464349
Molecular FormulaC7H11F4NO
Molecular Weight201.16 g/mol
Exact Mass201.08
IUPAC NameN-butyl-2,2,3,3-tetrafluoropropanamide
SMILESCCCCNC(=O)C(C(F)F)(F)F
InChIInChI=1S/C7H11F4NO/c1-2-3-4-12-6(13)7(10,11)5(8)9/h5H,2-4H2,1H3,(H,12,13)
InChIKeyGCPAFNUBDRSPHW-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity172

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-Trifluoro-N-[4-(2,2,2-trifluoro-acetylamino)-butyl]-acetamide
CID 581000
2,2,2-Trifluoro-N-isopropylacetamide
CID 2305253
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
2,2,3,3-Tetrafluoro-N-[3-(2,2,3,3-tetrafluoro-propionylamino)-propyl]-propionamide
CID 648167
N-Butyltrifluoroacetamide
CID 283366
2,2,3,3,4,4,4-Heptafluoro-N-hexylbutanamide
CID 540603
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-butyl-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-butyl-2,2,3,3-tetrafluoropropanamide (CID 4464349) is N-butyl-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-butyl-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-butyl-2,2,3,3-tetrafluoropropanamide is CCCCNC(=O)C(C(F)F)(F)F.
What is the InChIKey of N-butyl-2,2,3,3-tetrafluoropropanamide?
The InChIKey is GCPAFNUBDRSPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4NO/c1-2-3-4-12-6(13)7(10,11)5(8)9/h5H,2-4H2,1H3,(H,12,13).
What are the key properties of N-butyl-2,2,3,3-tetrafluoropropanamide?
N-butyl-2,2,3,3-tetrafluoropropanamide has a molecular weight of 201.16 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 4464349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).