(2S)-2-[(1S)-1-ethoxyethyl]-4,4-difluoro-1-methylpiperidine

C10H19F2NO — CID 169182501

IUPAC(2S)-2-[(1S)-1-ethoxyethyl]-4,4-difluoro-1-methylpiperidine
SMILESCCO[C@@H](C)[C@@H]1CC(F)(F)CCN1C
InChIInChI=1S/C10H19F2NO/c1-4-14-8(2)9-7-10(11,12)5-6-13(9)3/h8-9H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyIDAIDQDVNGYDHP-IUCAKERBSA-N
MW207.26 g/mol
LogP2.14
Rot. Bonds3

About (2S)-2-[(1S)-1-ethoxyethyl]-4,4-difluoro-1-methylpiperidine

(2S)-2-[(1S)-1-ethoxyethyl]-4,4-difluoro-1-methylpiperidine (PubChem CID 169182501) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is (2S)-2-[(1S)-1-ethoxyethyl]-4,4-difluoro-1-methylpiperidine.

Molecular Properties

Compound Name(2S)-2-[(1S)-1-ethoxyethyl]-4,4-difluoro-1-methylpiperidine
PubChem CID169182501
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name(2S)-2-[(1S)-1-ethoxyethyl]-4,4-difluoro-1-methylpiperidine
SMILESCCO[C@@H](C)[C@@H]1CC(F)(F)CCN1C
InChIInChI=1S/C10H19F2NO/c1-4-14-8(2)9-7-10(11,12)5-6-13(9)3/h8-9H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyIDAIDQDVNGYDHP-IUCAKERBSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-1-ethoxyethyl]-4,4-difluoro-1-methylpiperidine?
The IUPAC name of (2S)-2-[(1S)-1-ethoxyethyl]-4,4-difluoro-1-methylpiperidine (CID 169182501) is (2S)-2-[(1S)-1-ethoxyethyl]-4,4-difluoro-1-methylpiperidine.
What is the SMILES notation for (2S)-2-[(1S)-1-ethoxyethyl]-4,4-difluoro-1-methylpiperidine?
The canonical SMILES for (2S)-2-[(1S)-1-ethoxyethyl]-4,4-difluoro-1-methylpiperidine is CCO[C@@H](C)[C@@H]1CC(F)(F)CCN1C.
What is the InChIKey of (2S)-2-[(1S)-1-ethoxyethyl]-4,4-difluoro-1-methylpiperidine?
The InChIKey is IDAIDQDVNGYDHP-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-4-14-8(2)9-7-10(11,12)5-6-13(9)3/h8-9H,4-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of (2S)-2-[(1S)-1-ethoxyethyl]-4,4-difluoro-1-methylpiperidine?
(2S)-2-[(1S)-1-ethoxyethyl]-4,4-difluoro-1-methylpiperidine has a molecular weight of 207.26 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-1-ethoxyethyl]-4,4-difluoro-1-methylpiperidine is sourced from PubChem (CID 169182501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).