4,4-difluoro-3-methoxy-1-propan-2-ylpiperidine

C9H17F2NO — CID 58110410

IUPAC4,4-difluoro-3-methoxy-1-propan-2-ylpiperidine
SMILESCOC1CN(C(C)C)CCC1(F)F
InChIInChI=1S/C9H17F2NO/c1-7(2)12-5-4-9(10,11)8(6-12)13-3/h7-8H,4-6H2,1-3H3
InChIKeyBAKGIVYQYMBTCL-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.75
Rot. Bonds2

About 4,4-difluoro-3-methoxy-1-propan-2-ylpiperidine

4,4-difluoro-3-methoxy-1-propan-2-ylpiperidine (PubChem CID 58110410) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4,4-difluoro-3-methoxy-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4,4-difluoro-3-methoxy-1-propan-2-ylpiperidine
PubChem CID58110410
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4,4-difluoro-3-methoxy-1-propan-2-ylpiperidine
SMILESCOC1CN(C(C)C)CCC1(F)F
InChIInChI=1S/C9H17F2NO/c1-7(2)12-5-4-9(10,11)8(6-12)13-3/h7-8H,4-6H2,1-3H3
InChIKeyBAKGIVYQYMBTCL-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methoxy-1-propan-2-ylpiperidine?
The IUPAC name of 4,4-difluoro-3-methoxy-1-propan-2-ylpiperidine (CID 58110410) is 4,4-difluoro-3-methoxy-1-propan-2-ylpiperidine.
What is the SMILES notation for 4,4-difluoro-3-methoxy-1-propan-2-ylpiperidine?
The canonical SMILES for 4,4-difluoro-3-methoxy-1-propan-2-ylpiperidine is COC1CN(C(C)C)CCC1(F)F.
What is the InChIKey of 4,4-difluoro-3-methoxy-1-propan-2-ylpiperidine?
The InChIKey is BAKGIVYQYMBTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(2)12-5-4-9(10,11)8(6-12)13-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 4,4-difluoro-3-methoxy-1-propan-2-ylpiperidine?
4,4-difluoro-3-methoxy-1-propan-2-ylpiperidine has a molecular weight of 193.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methoxy-1-propan-2-ylpiperidine is sourced from PubChem (CID 58110410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).