2-tert-butyl-5-(difluoromethoxy)piperidine

C10H19F2NO — CID 176832733

IUPAC2-tert-butyl-5-(difluoromethoxy)piperidine
SMILESCC(C)(C)C1CCC(OC(F)F)CN1
InChIInChI=1S/C10H19F2NO/c1-10(2,3)8-5-4-7(6-13-8)14-9(11)12/h7-9,13H,4-6H2,1-3H3
InChIKeyVMNJMEXMGQPBTC-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.39
Rot. Bonds2

About 2-tert-butyl-5-(difluoromethoxy)piperidine

2-tert-butyl-5-(difluoromethoxy)piperidine (PubChem CID 176832733) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-tert-butyl-5-(difluoromethoxy)piperidine.

Molecular Properties

Compound Name2-tert-butyl-5-(difluoromethoxy)piperidine
PubChem CID176832733
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name2-tert-butyl-5-(difluoromethoxy)piperidine
SMILESCC(C)(C)C1CCC(OC(F)F)CN1
InChIInChI=1S/C10H19F2NO/c1-10(2,3)8-5-4-7(6-13-8)14-9(11)12/h7-9,13H,4-6H2,1-3H3
InChIKeyVMNJMEXMGQPBTC-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(difluoromethoxy)piperidine?
The IUPAC name of 2-tert-butyl-5-(difluoromethoxy)piperidine (CID 176832733) is 2-tert-butyl-5-(difluoromethoxy)piperidine.
What is the SMILES notation for 2-tert-butyl-5-(difluoromethoxy)piperidine?
The canonical SMILES for 2-tert-butyl-5-(difluoromethoxy)piperidine is CC(C)(C)C1CCC(OC(F)F)CN1.
What is the InChIKey of 2-tert-butyl-5-(difluoromethoxy)piperidine?
The InChIKey is VMNJMEXMGQPBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-10(2,3)8-5-4-7(6-13-8)14-9(11)12/h7-9,13H,4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-5-(difluoromethoxy)piperidine?
2-tert-butyl-5-(difluoromethoxy)piperidine has a molecular weight of 207.26 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(difluoromethoxy)piperidine is sourced from PubChem (CID 176832733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).