(4S)-4-(1,1-difluoroethoxy)-3,3-difluoro-1-propan-2-ylpiperidine

C10H17F4NO — CID 122532976

IUPAC(4S)-4-(1,1-difluoroethoxy)-3,3-difluoro-1-propan-2-ylpiperidine
SMILESCC(C)N1CC[C@H](OC(C)(F)F)C(F)(F)C1
InChIInChI=1S/C10H17F4NO/c1-7(2)15-5-4-8(10(13,14)6-15)16-9(3,11)12/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyGZBGLAPTESLKIE-QMMMGPOBSA-N
MW243.24 g/mol
LogP2.73
Rot. Bonds3

About (4S)-4-(1,1-difluoroethoxy)-3,3-difluoro-1-propan-2-ylpiperidine

(4S)-4-(1,1-difluoroethoxy)-3,3-difluoro-1-propan-2-ylpiperidine (PubChem CID 122532976) has the molecular formula C10H17F4NO and a molecular weight of 243.24 g/mol. Its IUPAC name is (4S)-4-(1,1-difluoroethoxy)-3,3-difluoro-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name(4S)-4-(1,1-difluoroethoxy)-3,3-difluoro-1-propan-2-ylpiperidine
PubChem CID122532976
Molecular FormulaC10H17F4NO
Molecular Weight243.24 g/mol
Exact Mass243.12
IUPAC Name(4S)-4-(1,1-difluoroethoxy)-3,3-difluoro-1-propan-2-ylpiperidine
SMILESCC(C)N1CC[C@H](OC(C)(F)F)C(F)(F)C1
InChIInChI=1S/C10H17F4NO/c1-7(2)15-5-4-8(10(13,14)6-15)16-9(3,11)12/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyGZBGLAPTESLKIE-QMMMGPOBSA-N
XLogP2.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1,1-difluoroethoxy)-3,3-difluoro-1-propan-2-ylpiperidine?
The IUPAC name of (4S)-4-(1,1-difluoroethoxy)-3,3-difluoro-1-propan-2-ylpiperidine (CID 122532976) is (4S)-4-(1,1-difluoroethoxy)-3,3-difluoro-1-propan-2-ylpiperidine.
What is the SMILES notation for (4S)-4-(1,1-difluoroethoxy)-3,3-difluoro-1-propan-2-ylpiperidine?
The canonical SMILES for (4S)-4-(1,1-difluoroethoxy)-3,3-difluoro-1-propan-2-ylpiperidine is CC(C)N1CC[C@H](OC(C)(F)F)C(F)(F)C1.
What is the InChIKey of (4S)-4-(1,1-difluoroethoxy)-3,3-difluoro-1-propan-2-ylpiperidine?
The InChIKey is GZBGLAPTESLKIE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17F4NO/c1-7(2)15-5-4-8(10(13,14)6-15)16-9(3,11)12/h7-8H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (4S)-4-(1,1-difluoroethoxy)-3,3-difluoro-1-propan-2-ylpiperidine?
(4S)-4-(1,1-difluoroethoxy)-3,3-difluoro-1-propan-2-ylpiperidine has a molecular weight of 243.24 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1,1-difluoroethoxy)-3,3-difluoro-1-propan-2-ylpiperidine is sourced from PubChem (CID 122532976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).