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

C14H19F3N2O — CID 110910508

IUPAC2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
SMILESOC(CN1CCN(CC(F)F)CC1)c1ccc(F)cc1
InChIInChI=1S/C14H19F3N2O/c15-12-3-1-11(2-4-12)13(20)9-18-5-7-19(8-6-18)10-14(16)17/h1-4,13-14,20H,5-10H2
InChIKeyABHXCBMGLQTOND-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.74
Rot. Bonds5

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

2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol (PubChem CID 110910508) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
PubChem CID110910508
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
SMILESOC(CN1CCN(CC(F)F)CC1)c1ccc(F)cc1
InChIInChI=1S/C14H19F3N2O/c15-12-3-1-11(2-4-12)13(20)9-18-5-7-19(8-6-18)10-14(16)17/h1-4,13-14,20H,5-10H2
InChIKeyABHXCBMGLQTOND-UHFFFAOYSA-N
XLogP1.74
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one
CID 110922561
1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol
CID 69054072
2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 110911555
1-(4-fluorophenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 110883521
1-(4-fluorophenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanol
CID 110883568
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(3,5-dimethylphenyl)ethanol
CID 111487620
3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110883491
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
2-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 110889740
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 110883261
[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 32513873

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol (CID 110910508) is 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol is OC(CN1CCN(CC(F)F)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol?
The InChIKey is ABHXCBMGLQTOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-12-3-1-11(2-4-12)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 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol?
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol has a molecular weight of 288.31 g/mol, XLogP of 1.74, 5 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]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 110910508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).