ethane;1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanol

C10H21F3N2O — CID 145338873

IUPACethane;1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanol
SMILESCC.CCN1CCN(C(O)C(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O.C2H6/c1-2-12-3-5-13(6-4-12)7(14)8(9,10)11;1-2/h7,14H,2-6H2,1H3;1-2H3
InChIKeyOESASKSYJFYSRW-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.53
Rot. Bonds2

About ethane;1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanol

ethane;1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanol (PubChem CID 145338873) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is ethane;1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Nameethane;1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanol
PubChem CID145338873
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC Nameethane;1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanol
SMILESCC.CCN1CCN(C(O)C(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O.C2H6/c1-2-12-3-5-13(6-4-12)7(14)8(9,10)11;1-2/h7,14H,2-6H2,1H3;1-2H3
InChIKeyOESASKSYJFYSRW-UHFFFAOYSA-N
XLogP1.53
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-Hydroxyethyl)piperazin-1-yl]ethanol
CID 429219
2-Fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 17980523
2-[4-(2-Fluoroethyl)piperazin-1-YL]ethanol
CID 45099649
(2S)-2-Fluoro-3-(4-methylpiperazin-1-YL)propan-1-OL
CID 57350202
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]propan-1-ol
CID 60703561
2-(4-(2,2,2-Trifluoroethyl)piperazin-1-yl)ethan-1-ol
CID 60744112
2-[4-(2,2-Difluoroethyl)piperazin-1-yl]ethanol
CID 62022864
(2R)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 69070198
2-[4-(1-Fluoroethyl)piperazin-1-yl]ethanol
CID 69131590
1-(1-Methoxyethyl)-4-(trifluoromethyl)piperazine
CID 91366465
2-[4-(Trifluoromethyl)piperazin-1-yl]ethanol
CID 134820986
1-[4-(2-Fluoroethyl)piperazin-1-yl]propan-1-ol
CID 141072893

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanol?
The IUPAC name of ethane;1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanol (CID 145338873) is ethane;1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for ethane;1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for ethane;1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanol is CC.CCN1CCN(C(O)C(F)(F)F)CC1.
What is the InChIKey of ethane;1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanol?
The InChIKey is OESASKSYJFYSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O.C2H6/c1-2-12-3-5-13(6-4-12)7(14)8(9,10)11;1-2/h7,14H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanol?
ethane;1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanol has a molecular weight of 242.28 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 145338873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).