3-[bis(1,1,2,2,2-pentafluoroethyl)amino]-2,2,3,3-tetrafluoropropanoyl fluoride

C7F15NO — CID 14361493

IUPAC3-[bis(1,1,2,2,2-pentafluoroethyl)amino]-2,2,3,3-tetrafluoropropanoyl fluoride
SMILESO=C(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7F15NO/c8-1(24)2(9,10)5(17,18)23(6(19,20)3(11,12)13)7(21,22)4(14,15)16
InChIKeyICPUJJVWXDKRRK-UHFFFAOYSA-N
MW399.05 g/mol
LogP4.32
Rot. Bonds5

About 3-[bis(1,1,2,2,2-pentafluoroethyl)amino]-2,2,3,3-tetrafluoropropanoyl fluoride

3-[bis(1,1,2,2,2-pentafluoroethyl)amino]-2,2,3,3-tetrafluoropropanoyl fluoride (PubChem CID 14361493) has the molecular formula C7F15NO and a molecular weight of 399.05 g/mol. Its IUPAC name is 3-[bis(1,1,2,2,2-pentafluoroethyl)amino]-2,2,3,3-tetrafluoropropanoyl fluoride.

Molecular Properties

Compound Name3-[bis(1,1,2,2,2-pentafluoroethyl)amino]-2,2,3,3-tetrafluoropropanoyl fluoride
PubChem CID14361493
Molecular FormulaC7F15NO
Molecular Weight399.05 g/mol
Exact Mass398.97
IUPAC Name3-[bis(1,1,2,2,2-pentafluoroethyl)amino]-2,2,3,3-tetrafluoropropanoyl fluoride
SMILESO=C(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7F15NO/c8-1(24)2(9,10)5(17,18)23(6(19,20)3(11,12)13)7(21,22)4(14,15)16
InChIKeyICPUJJVWXDKRRK-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.05
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4-[bis(trifluoromethyl)amino]-2,2,3,3,4,4-hexafluorobutanoyl fluoride
CID 101034948
3-bromo-2,2,3,4,4,4-hexafluorobutanoyl fluoride
CID 12060805
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23-tetratetracontafluorotetracosanedioyl difluoride
CID 163363228
3-chloro-2,2,3,4,4,4-hexafluorobutanoyl fluoride
CID 12060804
2,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pentanoyl fluoride
CID 90092935
3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoyl fluoride
CID 12585986
4-chloro-2,2,3,3,4,4-hexafluorobutanoyl fluoride
CID 15564861
potassium 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoate
CID 4271848
2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propanoyl fluoride
CID 121435395
1,1,2,3,3,3-hexafluoro-N,N-bis[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)propan-1-amine
CID 18981565
2,2,3,3,4,4-hexafluoro-4-(1,1,1,2,3-pentafluoro-3-oxopropan-2-yl)oxybutanoyl fluoride
CID 11256917
2,2,3,3-tetrafluoro-3-oxidoperoxysulfanylpropanoyl fluoride
CID 58852794

Frequently Asked Questions

What is the IUPAC name of 3-[bis(1,1,2,2,2-pentafluoroethyl)amino]-2,2,3,3-tetrafluoropropanoyl fluoride?
The IUPAC name of 3-[bis(1,1,2,2,2-pentafluoroethyl)amino]-2,2,3,3-tetrafluoropropanoyl fluoride (CID 14361493) is 3-[bis(1,1,2,2,2-pentafluoroethyl)amino]-2,2,3,3-tetrafluoropropanoyl fluoride.
What is the SMILES notation for 3-[bis(1,1,2,2,2-pentafluoroethyl)amino]-2,2,3,3-tetrafluoropropanoyl fluoride?
The canonical SMILES for 3-[bis(1,1,2,2,2-pentafluoroethyl)amino]-2,2,3,3-tetrafluoropropanoyl fluoride is O=C(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-[bis(1,1,2,2,2-pentafluoroethyl)amino]-2,2,3,3-tetrafluoropropanoyl fluoride?
The InChIKey is ICPUJJVWXDKRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F15NO/c8-1(24)2(9,10)5(17,18)23(6(19,20)3(11,12)13)7(21,22)4(14,15)16.
What are the key properties of 3-[bis(1,1,2,2,2-pentafluoroethyl)amino]-2,2,3,3-tetrafluoropropanoyl fluoride?
3-[bis(1,1,2,2,2-pentafluoroethyl)amino]-2,2,3,3-tetrafluoropropanoyl fluoride has a molecular weight of 399.05 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(1,1,2,2,2-pentafluoroethyl)amino]-2,2,3,3-tetrafluoropropanoyl fluoride is sourced from PubChem (CID 14361493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).