5-(difluoromethyl)-1-(1-hydroxyethyl)piperidine-3,4-diol

C8H15F2NO3 — CID 123315092

IUPAC5-(difluoromethyl)-1-(1-hydroxyethyl)piperidine-3,4-diol
SMILESCC(O)N1CC(O)C(O)C(C(F)F)C1
InChIInChI=1S/C8H15F2NO3/c1-4(12)11-2-5(8(9)10)7(14)6(13)3-11/h4-8,12-14H,2-3H2,1H3
InChIKeySPTYXAGASFYNAL-UHFFFAOYSA-N
MW211.21 g/mol
LogP-0.76
Rot. Bonds2

About 5-(difluoromethyl)-1-(1-hydroxyethyl)piperidine-3,4-diol

5-(difluoromethyl)-1-(1-hydroxyethyl)piperidine-3,4-diol (PubChem CID 123315092) has the molecular formula C8H15F2NO3 and a molecular weight of 211.21 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-(1-hydroxyethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name5-(difluoromethyl)-1-(1-hydroxyethyl)piperidine-3,4-diol
PubChem CID123315092
Molecular FormulaC8H15F2NO3
Molecular Weight211.21 g/mol
Exact Mass211.10
IUPAC Name5-(difluoromethyl)-1-(1-hydroxyethyl)piperidine-3,4-diol
SMILESCC(O)N1CC(O)C(O)C(C(F)F)C1
InChIInChI=1S/C8H15F2NO3/c1-4(12)11-2-5(8(9)10)7(14)6(13)3-11/h4-8,12-14H,2-3H2,1H3
InChIKeySPTYXAGASFYNAL-UHFFFAOYSA-N
XLogP-0.76
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-(1-hydroxyethyl)piperidine-3,4-diol?
The IUPAC name of 5-(difluoromethyl)-1-(1-hydroxyethyl)piperidine-3,4-diol (CID 123315092) is 5-(difluoromethyl)-1-(1-hydroxyethyl)piperidine-3,4-diol.
What is the SMILES notation for 5-(difluoromethyl)-1-(1-hydroxyethyl)piperidine-3,4-diol?
The canonical SMILES for 5-(difluoromethyl)-1-(1-hydroxyethyl)piperidine-3,4-diol is CC(O)N1CC(O)C(O)C(C(F)F)C1.
What is the InChIKey of 5-(difluoromethyl)-1-(1-hydroxyethyl)piperidine-3,4-diol?
The InChIKey is SPTYXAGASFYNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO3/c1-4(12)11-2-5(8(9)10)7(14)6(13)3-11/h4-8,12-14H,2-3H2,1H3.
What are the key properties of 5-(difluoromethyl)-1-(1-hydroxyethyl)piperidine-3,4-diol?
5-(difluoromethyl)-1-(1-hydroxyethyl)piperidine-3,4-diol has a molecular weight of 211.21 g/mol, XLogP of -0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-(1-hydroxyethyl)piperidine-3,4-diol is sourced from PubChem (CID 123315092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).