2-[difluoro(piperidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride

C9H10F7NO — CID 129207986

IUPAC2-[difluoro(piperidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride
SMILESO=C(F)C(F)(C(F)(F)F)C(F)(F)N1CCCCC1
InChIInChI=1S/C9H10F7NO/c10-6(18)7(11,8(12,13)14)9(15,16)17-4-2-1-3-5-17/h1-5H2
InChIKeyQSEIELBHMIIJLG-UHFFFAOYSA-N
MW281.17 g/mol
LogP2.83
Rot. Bonds3

About 2-[difluoro(piperidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride

2-[difluoro(piperidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride (PubChem CID 129207986) has the molecular formula C9H10F7NO and a molecular weight of 281.17 g/mol. Its IUPAC name is 2-[difluoro(piperidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride.

Molecular Properties

Compound Name2-[difluoro(piperidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride
PubChem CID129207986
Molecular FormulaC9H10F7NO
Molecular Weight281.17 g/mol
Exact Mass281.07
IUPAC Name2-[difluoro(piperidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride
SMILESO=C(F)C(F)(C(F)(F)F)C(F)(F)N1CCCCC1
InChIInChI=1S/C9H10F7NO/c10-6(18)7(11,8(12,13)14)9(15,16)17-4-2-1-3-5-17/h1-5H2
InChIKeyQSEIELBHMIIJLG-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.17
LogP ≤ 52.83
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(piperidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride?
The IUPAC name of 2-[difluoro(piperidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride (CID 129207986) is 2-[difluoro(piperidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride.
What is the SMILES notation for 2-[difluoro(piperidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride?
The canonical SMILES for 2-[difluoro(piperidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride is O=C(F)C(F)(C(F)(F)F)C(F)(F)N1CCCCC1.
What is the InChIKey of 2-[difluoro(piperidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride?
The InChIKey is QSEIELBHMIIJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F7NO/c10-6(18)7(11,8(12,13)14)9(15,16)17-4-2-1-3-5-17/h1-5H2.
What are the key properties of 2-[difluoro(piperidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride?
2-[difluoro(piperidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride has a molecular weight of 281.17 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(piperidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride is sourced from PubChem (CID 129207986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).