2-(3,3-difluoropiperidin-1-yl)ethanol

C7H13F2NO — CID 116991324

IUPAC2-(3,3-difluoropiperidin-1-yl)ethanol
SMILESOCCN1CCCC(F)(F)C1
InChIInChI=1S/C7H13F2NO/c8-7(9)2-1-3-10(6-7)4-5-11/h11H,1-6H2
InChIKeyYCENVODZJRZVGQ-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.71
Rot. Bonds2

About 2-(3,3-difluoropiperidin-1-yl)ethanol

2-(3,3-difluoropiperidin-1-yl)ethanol (PubChem CID 116991324) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 2-(3,3-difluoropiperidin-1-yl)ethanol.

Molecular Properties

Compound Name2-(3,3-difluoropiperidin-1-yl)ethanol
PubChem CID116991324
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name2-(3,3-difluoropiperidin-1-yl)ethanol
SMILESOCCN1CCCC(F)(F)C1
InChIInChI=1S/C7H13F2NO/c8-7(9)2-1-3-10(6-7)4-5-11/h11H,1-6H2
InChIKeyYCENVODZJRZVGQ-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropiperidin-1-yl)ethanol?
The IUPAC name of 2-(3,3-difluoropiperidin-1-yl)ethanol (CID 116991324) is 2-(3,3-difluoropiperidin-1-yl)ethanol.
What is the SMILES notation for 2-(3,3-difluoropiperidin-1-yl)ethanol?
The canonical SMILES for 2-(3,3-difluoropiperidin-1-yl)ethanol is OCCN1CCCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoropiperidin-1-yl)ethanol?
The InChIKey is YCENVODZJRZVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)2-1-3-10(6-7)4-5-11/h11H,1-6H2.
What are the key properties of 2-(3,3-difluoropiperidin-1-yl)ethanol?
2-(3,3-difluoropiperidin-1-yl)ethanol has a molecular weight of 165.18 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropiperidin-1-yl)ethanol is sourced from PubChem (CID 116991324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).