4-[bis(trifluoromethyl)amino]-2,2,3,3,4,4-hexafluorobutanoyl fluoride

C6F13NO — CID 101034948

IUPAC4-[bis(trifluoromethyl)amino]-2,2,3,3,4,4-hexafluorobutanoyl fluoride
SMILESO=C(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F13NO/c7-1(21)2(8,9)3(10,11)4(12,13)20(5(14,15)16)6(17,18)19
InChIKeyIPDUKYVMXONQPD-UHFFFAOYSA-N
MW349.05 g/mol
LogP3.69
Rot. Bonds4

About 4-[bis(trifluoromethyl)amino]-2,2,3,3,4,4-hexafluorobutanoyl fluoride

4-[bis(trifluoromethyl)amino]-2,2,3,3,4,4-hexafluorobutanoyl fluoride (PubChem CID 101034948) has the molecular formula C6F13NO and a molecular weight of 349.05 g/mol. Its IUPAC name is 4-[bis(trifluoromethyl)amino]-2,2,3,3,4,4-hexafluorobutanoyl fluoride.

Molecular Properties

Compound Name4-[bis(trifluoromethyl)amino]-2,2,3,3,4,4-hexafluorobutanoyl fluoride
PubChem CID101034948
Molecular FormulaC6F13NO
Molecular Weight349.05 g/mol
Exact Mass348.98
IUPAC Name4-[bis(trifluoromethyl)amino]-2,2,3,3,4,4-hexafluorobutanoyl fluoride
SMILESO=C(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F13NO/c7-1(21)2(8,9)3(10,11)4(12,13)20(5(14,15)16)6(17,18)19
InChIKeyIPDUKYVMXONQPD-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.05
LogP ≤ 53.69
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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Frequently Asked Questions

What is the IUPAC name of 4-[bis(trifluoromethyl)amino]-2,2,3,3,4,4-hexafluorobutanoyl fluoride?
The IUPAC name of 4-[bis(trifluoromethyl)amino]-2,2,3,3,4,4-hexafluorobutanoyl fluoride (CID 101034948) is 4-[bis(trifluoromethyl)amino]-2,2,3,3,4,4-hexafluorobutanoyl fluoride.
What is the SMILES notation for 4-[bis(trifluoromethyl)amino]-2,2,3,3,4,4-hexafluorobutanoyl fluoride?
The canonical SMILES for 4-[bis(trifluoromethyl)amino]-2,2,3,3,4,4-hexafluorobutanoyl fluoride is O=C(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-[bis(trifluoromethyl)amino]-2,2,3,3,4,4-hexafluorobutanoyl fluoride?
The InChIKey is IPDUKYVMXONQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F13NO/c7-1(21)2(8,9)3(10,11)4(12,13)20(5(14,15)16)6(17,18)19.
What are the key properties of 4-[bis(trifluoromethyl)amino]-2,2,3,3,4,4-hexafluorobutanoyl fluoride?
4-[bis(trifluoromethyl)amino]-2,2,3,3,4,4-hexafluorobutanoyl fluoride has a molecular weight of 349.05 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(trifluoromethyl)amino]-2,2,3,3,4,4-hexafluorobutanoyl fluoride is sourced from PubChem (CID 101034948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).