4-(difluoromethoxy)-2-propan-2-ylpiperidine

C9H17F2NO — CID 170772139

IUPAC4-(difluoromethoxy)-2-propan-2-ylpiperidine
SMILESCC(C)C1CC(OC(F)F)CCN1
InChIInChI=1S/C9H17F2NO/c1-6(2)8-5-7(3-4-12-8)13-9(10)11/h6-9,12H,3-5H2,1-2H3
InChIKeyQKDPURDOJBCZMB-UHFFFAOYSA-N
MW193.24 g/mol
LogP2.00
Rot. Bonds3

About 4-(difluoromethoxy)-2-propan-2-ylpiperidine

4-(difluoromethoxy)-2-propan-2-ylpiperidine (PubChem CID 170772139) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-propan-2-ylpiperidine
PubChem CID170772139
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4-(difluoromethoxy)-2-propan-2-ylpiperidine
SMILESCC(C)C1CC(OC(F)F)CCN1
InChIInChI=1S/C9H17F2NO/c1-6(2)8-5-7(3-4-12-8)13-9(10)11/h6-9,12H,3-5H2,1-2H3
InChIKeyQKDPURDOJBCZMB-UHFFFAOYSA-N
XLogP2.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-propan-2-ylpiperidine?
The IUPAC name of 4-(difluoromethoxy)-2-propan-2-ylpiperidine (CID 170772139) is 4-(difluoromethoxy)-2-propan-2-ylpiperidine.
What is the SMILES notation for 4-(difluoromethoxy)-2-propan-2-ylpiperidine?
The canonical SMILES for 4-(difluoromethoxy)-2-propan-2-ylpiperidine is CC(C)C1CC(OC(F)F)CCN1.
What is the InChIKey of 4-(difluoromethoxy)-2-propan-2-ylpiperidine?
The InChIKey is QKDPURDOJBCZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-6(2)8-5-7(3-4-12-8)13-9(10)11/h6-9,12H,3-5H2,1-2H3.
What are the key properties of 4-(difluoromethoxy)-2-propan-2-ylpiperidine?
4-(difluoromethoxy)-2-propan-2-ylpiperidine has a molecular weight of 193.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-propan-2-ylpiperidine is sourced from PubChem (CID 170772139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).