1-(oxetan-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid)

C11H16F6N2O5 — CID 71757861

IUPAC1-(oxetan-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid)
SMILESC1CN(C2COC2)CCN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O.2C2HF3O2/c1-3-9(4-2-8-1)7-5-10-6-7;2*3-2(4,5)1(6)7/h7-8H,1-6H2;2*(H,6,7)
InChIKeyQMDLBDHAXQBCKC-UHFFFAOYSA-N
MW370.25 g/mol
LogP0.56
Rot. Bonds1

About 1-(oxetan-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid)

1-(oxetan-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 71757861) has the molecular formula C11H16F6N2O5 and a molecular weight of 370.25 g/mol. Its IUPAC name is 1-(oxetan-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-(oxetan-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID71757861
Molecular FormulaC11H16F6N2O5
Molecular Weight370.25 g/mol
Exact Mass370.10
IUPAC Name1-(oxetan-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid)
SMILESC1CN(C2COC2)CCN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O.2C2HF3O2/c1-3-9(4-2-8-1)7-5-10-6-7;2*3-2(4,5)1(6)7/h7-8H,1-6H2;2*(H,6,7)
InChIKeyQMDLBDHAXQBCKC-UHFFFAOYSA-N
XLogP0.56
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Oxetan-3-yl)piperidin-4-amine bis(trifluoroacetate)
CID 139022807
1-(Morpholine-4-sulfonyl)azetidin-3-amine,trifluoroaceticacid
CID 165654065
4-[4-(Azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine;2,2,2-trifluoroacetic acid
CID 19360767
1-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]piperazine;2,2,2-trifluoroacetic acid
CID 22011783
1-(2-Methoxyethyl)piperazine;2,2,2-trifluoroacetic acid
CID 67376513
Ethyl 2-(2,6-dimethylpiperazin-1-yl)propanoate;2,2,2-trifluoroacetic acid
CID 87640590
1-[2-(2-Fluoroethoxy)ethyl]piperazine;2,2,2-trifluoroacetic acid
CID 87998446
2-(2-Piperazin-1-ylethoxy)ethyl acetate;bis(2,2,2-trifluoroacetic acid)
CID 88141040
2-(Methoxymethyl)-1-methylpiperazine;2,2,2-trifluoroacetic acid
CID 89106909
CID 134584547
CID 134584547
[1-(Oxetan-3-yl)-2-(2,2,2-trifluoroacetyl)oxypiperazin-2-yl] 2,2,2-trifluoroacetate
CID 140804554
1-(Oxetan-3-yl)azetidin-3-amine bis(2,2,2-trifluoroacetate)
CID 145867608

Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-(oxetan-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid) (CID 71757861) is 1-(oxetan-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-(oxetan-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-(oxetan-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid) is C1CN(C2COC2)CCN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(oxetan-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is QMDLBDHAXQBCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.2C2HF3O2/c1-3-9(4-2-8-1)7-5-10-6-7;2*3-2(4,5)1(6)7/h7-8H,1-6H2;2*(H,6,7).
What are the key properties of 1-(oxetan-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid)?
1-(oxetan-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 370.25 g/mol, XLogP of 0.56, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)piperazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 71757861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).