3-(difluoromethoxymethyl)-2-propan-2-ylpiperidine

C10H19F2NO — CID 170771809

IUPAC3-(difluoromethoxymethyl)-2-propan-2-ylpiperidine
SMILESCC(C)C1NCCCC1COC(F)F
InChIInChI=1S/C10H19F2NO/c1-7(2)9-8(4-3-5-13-9)6-14-10(11)12/h7-10,13H,3-6H2,1-2H3
InChIKeyMQPBIFILUCLZSL-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.25
Rot. Bonds4

About 3-(difluoromethoxymethyl)-2-propan-2-ylpiperidine

3-(difluoromethoxymethyl)-2-propan-2-ylpiperidine (PubChem CID 170771809) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-(difluoromethoxymethyl)-2-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-(difluoromethoxymethyl)-2-propan-2-ylpiperidine
PubChem CID170771809
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name3-(difluoromethoxymethyl)-2-propan-2-ylpiperidine
SMILESCC(C)C1NCCCC1COC(F)F
InChIInChI=1S/C10H19F2NO/c1-7(2)9-8(4-3-5-13-9)6-14-10(11)12/h7-10,13H,3-6H2,1-2H3
InChIKeyMQPBIFILUCLZSL-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxymethyl)-2-propan-2-ylpiperidine?
The IUPAC name of 3-(difluoromethoxymethyl)-2-propan-2-ylpiperidine (CID 170771809) is 3-(difluoromethoxymethyl)-2-propan-2-ylpiperidine.
What is the SMILES notation for 3-(difluoromethoxymethyl)-2-propan-2-ylpiperidine?
The canonical SMILES for 3-(difluoromethoxymethyl)-2-propan-2-ylpiperidine is CC(C)C1NCCCC1COC(F)F.
What is the InChIKey of 3-(difluoromethoxymethyl)-2-propan-2-ylpiperidine?
The InChIKey is MQPBIFILUCLZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-7(2)9-8(4-3-5-13-9)6-14-10(11)12/h7-10,13H,3-6H2,1-2H3.
What are the key properties of 3-(difluoromethoxymethyl)-2-propan-2-ylpiperidine?
3-(difluoromethoxymethyl)-2-propan-2-ylpiperidine has a molecular weight of 207.26 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxymethyl)-2-propan-2-ylpiperidine is sourced from PubChem (CID 170771809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).