ethane;1-propan-2-yl-4-[2-(trifluoromethoxy)ethyl]piperazine

C12H25F3N2O — CID 170709319

IUPACethane;1-propan-2-yl-4-[2-(trifluoromethoxy)ethyl]piperazine
SMILESCC.CC(C)N1CCN(CCOC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O.C2H6/c1-9(2)15-5-3-14(4-6-15)7-8-16-10(11,12)13;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyHUCODMUJGAJXTI-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.58
Rot. Bonds4

About ethane;1-propan-2-yl-4-[2-(trifluoromethoxy)ethyl]piperazine

ethane;1-propan-2-yl-4-[2-(trifluoromethoxy)ethyl]piperazine (PubChem CID 170709319) has the molecular formula C12H25F3N2O and a molecular weight of 270.34 g/mol. Its IUPAC name is ethane;1-propan-2-yl-4-[2-(trifluoromethoxy)ethyl]piperazine.

Molecular Properties

Compound Nameethane;1-propan-2-yl-4-[2-(trifluoromethoxy)ethyl]piperazine
PubChem CID170709319
Molecular FormulaC12H25F3N2O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC Nameethane;1-propan-2-yl-4-[2-(trifluoromethoxy)ethyl]piperazine
SMILESCC.CC(C)N1CCN(CCOC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O.C2H6/c1-9(2)15-5-3-14(4-6-15)7-8-16-10(11,12)13;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyHUCODMUJGAJXTI-UHFFFAOYSA-N
XLogP2.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Ethoxyethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 53590645
4-[2-[4-(2,2-Difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]morpholine
CID 75437493
1-Methyl-4-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperazine
CID 18731750
1-(2-Ethoxy-1,1,2,2-tetrafluoroethyl)-4-methylpiperazine
CID 59921966
1-Methyl-4-[2-(trifluoromethoxy)ethyl]piperazine
CID 70936734
1-(4-Fluorobutyl)-4-(2-methoxyethyl)piperazine
CID 70970407
1-[(2S)-2-fluoropropyl]-4-(2-methoxyethyl)piperazine
CID 71188956
1-[(1S)-1-fluoroethyl]-4-(2-methoxyethyl)piperazine
CID 89352986
(3S)-3-(difluoromethyl)-4-methylmorpholine
CID 89634530
(3S)-4-methyl-3-(trifluoromethyl)morpholine
CID 89634539
4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine
CID 90180655
3-Ethoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
CID 90906273

Frequently Asked Questions

What is the IUPAC name of ethane;1-propan-2-yl-4-[2-(trifluoromethoxy)ethyl]piperazine?
The IUPAC name of ethane;1-propan-2-yl-4-[2-(trifluoromethoxy)ethyl]piperazine (CID 170709319) is ethane;1-propan-2-yl-4-[2-(trifluoromethoxy)ethyl]piperazine.
What is the SMILES notation for ethane;1-propan-2-yl-4-[2-(trifluoromethoxy)ethyl]piperazine?
The canonical SMILES for ethane;1-propan-2-yl-4-[2-(trifluoromethoxy)ethyl]piperazine is CC.CC(C)N1CCN(CCOC(F)(F)F)CC1.
What is the InChIKey of ethane;1-propan-2-yl-4-[2-(trifluoromethoxy)ethyl]piperazine?
The InChIKey is HUCODMUJGAJXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O.C2H6/c1-9(2)15-5-3-14(4-6-15)7-8-16-10(11,12)13;1-2/h9H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-propan-2-yl-4-[2-(trifluoromethoxy)ethyl]piperazine?
ethane;1-propan-2-yl-4-[2-(trifluoromethoxy)ethyl]piperazine has a molecular weight of 270.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propan-2-yl-4-[2-(trifluoromethoxy)ethyl]piperazine is sourced from PubChem (CID 170709319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).