2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol

C8H16F2N2O — CID 62022864

IUPAC2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CC(F)F)CC1
InChIInChI=1S/C8H16F2N2O/c9-8(10)7-12-3-1-11(2-4-12)5-6-13/h8,13H,1-7H2
InChIKeyWJZQCJFMJWYMII-UHFFFAOYSA-N
MW194.22 g/mol
LogP-0.14
Rot. Bonds4

About 2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol

2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol (PubChem CID 62022864) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol
PubChem CID62022864
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CC(F)F)CC1
InChIInChI=1S/C8H16F2N2O/c9-8(10)7-12-3-1-11(2-4-12)5-6-13/h8,13H,1-7H2
InChIKeyWJZQCJFMJWYMII-UHFFFAOYSA-N
XLogP-0.14
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol (CID 62022864) is 2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol is OCCN1CCN(CC(F)F)CC1.
What is the InChIKey of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol?
The InChIKey is WJZQCJFMJWYMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c9-8(10)7-12-3-1-11(2-4-12)5-6-13/h8,13H,1-7H2.
What are the key properties of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol?
2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol has a molecular weight of 194.22 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 62022864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).