4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine

C10H19F2NO — CID 122532914

IUPAC4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(OC(C)(F)F)CC1
InChIInChI=1S/C10H19F2NO/c1-8(2)13-6-4-9(5-7-13)14-10(3,11)12/h8-9H,4-7H2,1-3H3
InChIKeyUMKWBEFIVYWONH-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.49
Rot. Bonds3

About 4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine

4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine (PubChem CID 122532914) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine
PubChem CID122532914
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(OC(C)(F)F)CC1
InChIInChI=1S/C10H19F2NO/c1-8(2)13-6-4-9(5-7-13)14-10(3,11)12/h8-9H,4-7H2,1-3H3
InChIKeyUMKWBEFIVYWONH-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine (CID 122532914) is 4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine is CC(C)N1CCC(OC(C)(F)F)CC1.
What is the InChIKey of 4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine?
The InChIKey is UMKWBEFIVYWONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-8(2)13-6-4-9(5-7-13)14-10(3,11)12/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine?
4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine has a molecular weight of 207.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethoxy)-1-propan-2-ylpiperidine is sourced from PubChem (CID 122532914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).