2,2,3,3-tetrafluoro-3-[4-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride

C9H9F8NO — CID 129208030

IUPAC2,2,3,3-tetrafluoro-3-[4-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride
SMILESO=C(F)C(F)(F)C(F)(F)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H9F8NO/c10-6(19)7(11,12)9(16,17)18-3-1-5(2-4-18)8(13,14)15/h5H,1-4H2
InChIKeyMZVFQXMBKBNICZ-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.98
Rot. Bonds3

About 2,2,3,3-tetrafluoro-3-[4-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride

2,2,3,3-tetrafluoro-3-[4-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride (PubChem CID 129208030) has the molecular formula C9H9F8NO and a molecular weight of 299.16 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-3-[4-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-3-[4-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride
PubChem CID129208030
Molecular FormulaC9H9F8NO
Molecular Weight299.16 g/mol
Exact Mass299.06
IUPAC Name2,2,3,3-tetrafluoro-3-[4-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride
SMILESO=C(F)C(F)(F)C(F)(F)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H9F8NO/c10-6(19)7(11,12)9(16,17)18-3-1-5(2-4-18)8(13,14)15/h5H,1-4H2
InChIKeyMZVFQXMBKBNICZ-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.98
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 2,2,3,3-tetrafluoro-3-[4-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride?
The IUPAC name of 2,2,3,3-tetrafluoro-3-[4-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride (CID 129208030) is 2,2,3,3-tetrafluoro-3-[4-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride.
What is the SMILES notation for 2,2,3,3-tetrafluoro-3-[4-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride?
The canonical SMILES for 2,2,3,3-tetrafluoro-3-[4-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride is O=C(F)C(F)(F)C(F)(F)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2,2,3,3-tetrafluoro-3-[4-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride?
The InChIKey is MZVFQXMBKBNICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F8NO/c10-6(19)7(11,12)9(16,17)18-3-1-5(2-4-18)8(13,14)15/h5H,1-4H2.
What are the key properties of 2,2,3,3-tetrafluoro-3-[4-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride?
2,2,3,3-tetrafluoro-3-[4-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride has a molecular weight of 299.16 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-3-[4-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride is sourced from PubChem (CID 129208030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).