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

C14H19ClF2N2O — CID 48942533

IUPAC1-(2-chlorophenyl)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol
SMILESOC(CN1CCN(CC(F)F)CC1)c1ccccc1Cl
InChIInChI=1S/C14H19ClF2N2O/c15-12-4-2-1-3-11(12)13(20)9-18-5-7-19(8-6-18)10-14(16)17/h1-4,13-14,20H,5-10H2
InChIKeyZBDQCTOKUTXADI-UHFFFAOYSA-N
MW304.77 g/mol
LogP2.26
Rot. Bonds5

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

1-(2-chlorophenyl)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol (PubChem CID 48942533) has the molecular formula C14H19ClF2N2O and a molecular weight of 304.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol
PubChem CID48942533
Molecular FormulaC14H19ClF2N2O
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC Name1-(2-chlorophenyl)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol
SMILESOC(CN1CCN(CC(F)F)CC1)c1ccccc1Cl
InChIInChI=1S/C14H19ClF2N2O/c15-12-4-2-1-3-11(12)13(20)9-18-5-7-19(8-6-18)10-14(16)17/h1-4,13-14,20H,5-10H2
InChIKeyZBDQCTOKUTXADI-UHFFFAOYSA-N
XLogP2.26
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol (CID 48942533) is 1-(2-chlorophenyl)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol is OC(CN1CCN(CC(F)F)CC1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol?
The InChIKey is ZBDQCTOKUTXADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF2N2O/c15-12-4-2-1-3-11(12)13(20)9-18-5-7-19(8-6-18)10-14(16)17/h1-4,13-14,20H,5-10H2.
What are the key properties of 1-(2-chlorophenyl)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol?
1-(2-chlorophenyl)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol has a molecular weight of 304.77 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 48942533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).