2,2,3,3-tetrafluoro-N-(4,4,4-trifluorobutan-2-yl)propanamide

C7H8F7NO — CID 104855040

IUPAC2,2,3,3-tetrafluoro-N-(4,4,4-trifluorobutan-2-yl)propanamide
SMILESCC(CC(F)(F)F)NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C7H8F7NO/c1-3(2-6(10,11)12)15-5(16)7(13,14)4(8)9/h3-4H,2H2,1H3,(H,15,16)
InChIKeyMZBGTIZTFHRXMD-UHFFFAOYSA-N
MW255.13 g/mol
LogP2.34
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-(4,4,4-trifluorobutan-2-yl)propanamide

2,2,3,3-tetrafluoro-N-(4,4,4-trifluorobutan-2-yl)propanamide (PubChem CID 104855040) has the molecular formula C7H8F7NO and a molecular weight of 255.13 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(4,4,4-trifluorobutan-2-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(4,4,4-trifluorobutan-2-yl)propanamide
PubChem CID104855040
Molecular FormulaC7H8F7NO
Molecular Weight255.13 g/mol
Exact Mass255.05
IUPAC Name2,2,3,3-tetrafluoro-N-(4,4,4-trifluorobutan-2-yl)propanamide
SMILESCC(CC(F)(F)F)NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C7H8F7NO/c1-3(2-6(10,11)12)15-5(16)7(13,14)4(8)9/h3-4H,2H2,1H3,(H,15,16)
InChIKeyMZBGTIZTFHRXMD-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.13
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluoro-N-octan-2-ylpropanamide
CID 103732426
2,2,3,3-tetrafluoro-N-(2-methylpentan-3-yl)propanamide
CID 103733242
N-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide
CID 104580731
N-(4,4,4-trifluorobutan-2-yl)butanamide
CID 104854905
2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782269
2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 105342996
2,2,3,3-tetrafluoro-N-(1-hydroxybutan-2-yl)propanamide
CID 103944341
2,2,3,3-tetrafluoro-N-[1-(oxan-4-yl)ethyl]propanamide
CID 103769518
2-ethoxy-N-(4,4,4-trifluorobutan-2-yl)acetamide
CID 104854854
2,2,3,3-tetrafluoro-N-(3,3,3-trifluoropropyl)propanamide
CID 103734095
1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea
CID 104854890
3-methyl-2-[(4,4,4-trifluorobutan-2-ylcarbamoylamino)methyl]butanoic acid
CID 114131789

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(4,4,4-trifluorobutan-2-yl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(4,4,4-trifluorobutan-2-yl)propanamide (CID 104855040) is 2,2,3,3-tetrafluoro-N-(4,4,4-trifluorobutan-2-yl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(4,4,4-trifluorobutan-2-yl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(4,4,4-trifluorobutan-2-yl)propanamide is CC(CC(F)(F)F)NC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(4,4,4-trifluorobutan-2-yl)propanamide?
The InChIKey is MZBGTIZTFHRXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F7NO/c1-3(2-6(10,11)12)15-5(16)7(13,14)4(8)9/h3-4H,2H2,1H3,(H,15,16).
What are the key properties of 2,2,3,3-tetrafluoro-N-(4,4,4-trifluorobutan-2-yl)propanamide?
2,2,3,3-tetrafluoro-N-(4,4,4-trifluorobutan-2-yl)propanamide has a molecular weight of 255.13 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(4,4,4-trifluorobutan-2-yl)propanamide is sourced from PubChem (CID 104855040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).