4,4-difluoro-1-(2-propan-2-yloxyethyl)piperidine

C10H19F2NO — CID 146818526

IUPAC4,4-difluoro-1-(2-propan-2-yloxyethyl)piperidine
SMILESCC(C)OCCN1CCC(F)(F)CC1
InChIInChI=1S/C10H19F2NO/c1-9(2)14-8-7-13-5-3-10(11,12)4-6-13/h9H,3-8H2,1-2H3
InChIKeySBOQMTQTOAKZBC-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.14
Rot. Bonds4

About 4,4-difluoro-1-(2-propan-2-yloxyethyl)piperidine

4,4-difluoro-1-(2-propan-2-yloxyethyl)piperidine (PubChem CID 146818526) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 4,4-difluoro-1-(2-propan-2-yloxyethyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(2-propan-2-yloxyethyl)piperidine
PubChem CID146818526
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name4,4-difluoro-1-(2-propan-2-yloxyethyl)piperidine
SMILESCC(C)OCCN1CCC(F)(F)CC1
InChIInChI=1S/C10H19F2NO/c1-9(2)14-8-7-13-5-3-10(11,12)4-6-13/h9H,3-8H2,1-2H3
InChIKeySBOQMTQTOAKZBC-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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 4,4-difluoro-1-(2-propan-2-yloxyethyl)piperidine?
The IUPAC name of 4,4-difluoro-1-(2-propan-2-yloxyethyl)piperidine (CID 146818526) is 4,4-difluoro-1-(2-propan-2-yloxyethyl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-(2-propan-2-yloxyethyl)piperidine?
The canonical SMILES for 4,4-difluoro-1-(2-propan-2-yloxyethyl)piperidine is CC(C)OCCN1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(2-propan-2-yloxyethyl)piperidine?
The InChIKey is SBOQMTQTOAKZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-9(2)14-8-7-13-5-3-10(11,12)4-6-13/h9H,3-8H2,1-2H3.
What are the key properties of 4,4-difluoro-1-(2-propan-2-yloxyethyl)piperidine?
4,4-difluoro-1-(2-propan-2-yloxyethyl)piperidine has a molecular weight of 207.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(2-propan-2-yloxyethyl)piperidine is sourced from PubChem (CID 146818526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).