4,4-difluoro-3-methylpiperidin-3-ol

C6H11F2NO — CID 168906655

IUPAC4,4-difluoro-3-methylpiperidin-3-ol
SMILESCC1(O)CNCCC1(F)F
InChIInChI=1S/C6H11F2NO/c1-5(10)4-9-3-2-6(5,7)8/h9-10H,2-4H2,1H3
InChIKeyWCPAQKCHLUMOPV-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.37
Rot. Bonds

About 4,4-difluoro-3-methylpiperidin-3-ol

4,4-difluoro-3-methylpiperidin-3-ol (PubChem CID 168906655) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 4,4-difluoro-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name4,4-difluoro-3-methylpiperidin-3-ol
PubChem CID168906655
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name4,4-difluoro-3-methylpiperidin-3-ol
SMILESCC1(O)CNCCC1(F)F
InChIInChI=1S/C6H11F2NO/c1-5(10)4-9-3-2-6(5,7)8/h9-10H,2-4H2,1H3
InChIKeyWCPAQKCHLUMOPV-UHFFFAOYSA-N
XLogP0.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methylpiperidin-3-ol?
The IUPAC name of 4,4-difluoro-3-methylpiperidin-3-ol (CID 168906655) is 4,4-difluoro-3-methylpiperidin-3-ol.
What is the SMILES notation for 4,4-difluoro-3-methylpiperidin-3-ol?
The canonical SMILES for 4,4-difluoro-3-methylpiperidin-3-ol is CC1(O)CNCCC1(F)F.
What is the InChIKey of 4,4-difluoro-3-methylpiperidin-3-ol?
The InChIKey is WCPAQKCHLUMOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-5(10)4-9-3-2-6(5,7)8/h9-10H,2-4H2,1H3.
What are the key properties of 4,4-difluoro-3-methylpiperidin-3-ol?
4,4-difluoro-3-methylpiperidin-3-ol has a molecular weight of 151.16 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methylpiperidin-3-ol is sourced from PubChem (CID 168906655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).