(2S)-4,4-difluoro-1-methylpiperidine-2-carbonyl fluoride

C7H10F3NO — CID 134570791

IUPAC(2S)-4,4-difluoro-1-methylpiperidine-2-carbonyl fluoride
SMILESCN1CCC(F)(F)C[C@H]1C(=O)F
InChIInChI=1S/C7H10F3NO/c1-11-3-2-7(9,10)4-5(11)6(8)12/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyLZKFSYURUQVTGL-YFKPBYRVSA-N
MW181.16 g/mol
LogP1.21
Rot. Bonds1

About (2S)-4,4-difluoro-1-methylpiperidine-2-carbonyl fluoride

(2S)-4,4-difluoro-1-methylpiperidine-2-carbonyl fluoride (PubChem CID 134570791) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is (2S)-4,4-difluoro-1-methylpiperidine-2-carbonyl fluoride.

Molecular Properties

Compound Name(2S)-4,4-difluoro-1-methylpiperidine-2-carbonyl fluoride
PubChem CID134570791
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name(2S)-4,4-difluoro-1-methylpiperidine-2-carbonyl fluoride
SMILESCN1CCC(F)(F)C[C@H]1C(=O)F
InChIInChI=1S/C7H10F3NO/c1-11-3-2-7(9,10)4-5(11)6(8)12/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyLZKFSYURUQVTGL-YFKPBYRVSA-N
XLogP1.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-difluoro-1-methylpiperidine-2-carbonyl fluoride?
The IUPAC name of (2S)-4,4-difluoro-1-methylpiperidine-2-carbonyl fluoride (CID 134570791) is (2S)-4,4-difluoro-1-methylpiperidine-2-carbonyl fluoride.
What is the SMILES notation for (2S)-4,4-difluoro-1-methylpiperidine-2-carbonyl fluoride?
The canonical SMILES for (2S)-4,4-difluoro-1-methylpiperidine-2-carbonyl fluoride is CN1CCC(F)(F)C[C@H]1C(=O)F.
What is the InChIKey of (2S)-4,4-difluoro-1-methylpiperidine-2-carbonyl fluoride?
The InChIKey is LZKFSYURUQVTGL-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-11-3-2-7(9,10)4-5(11)6(8)12/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-4,4-difluoro-1-methylpiperidine-2-carbonyl fluoride?
(2S)-4,4-difluoro-1-methylpiperidine-2-carbonyl fluoride has a molecular weight of 181.16 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-difluoro-1-methylpiperidine-2-carbonyl fluoride is sourced from PubChem (CID 134570791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).