1-(3-amino-3-propan-2-ylazetidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

C11H19F3N2O2 — CID 103212944

IUPAC1-(3-amino-3-propan-2-ylazetidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCC(C)C1(N)CN(C(=O)CCOCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-8(2)10(15)5-16(6-10)9(17)3-4-18-7-11(12,13)14/h8H,3-7,15H2,1-2H3
InChIKeyOHKDZOUNPSPXTD-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.15
Rot. Bonds5

About 1-(3-amino-3-propan-2-ylazetidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

1-(3-amino-3-propan-2-ylazetidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 103212944) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-(3-amino-3-propan-2-ylazetidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(3-amino-3-propan-2-ylazetidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID103212944
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name1-(3-amino-3-propan-2-ylazetidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCC(C)C1(N)CN(C(=O)CCOCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-8(2)10(15)5-16(6-10)9(17)3-4-18-7-11(12,13)14/h8H,3-7,15H2,1-2H3
InChIKeyOHKDZOUNPSPXTD-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(1-chloroethyl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 106839016
1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103205473
1-(4-hydroxy-3-methylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 114680112
1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63030408
1-(3-amino-3-ethylazetidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103212940
7-[3-(2,2,2-trifluoroethoxy)propanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78995893
N-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide
CID 115410172
ethyl 2-ethyl-3-oxo-5-(2,2,2-trifluoroethoxy)pentanoate
CID 103150167
3,3-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2,6-dione
CID 66073632
1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2-carboxamide
CID 103209534
N-(1-amino-4-methylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106356889
ethyl 3-oxo-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentanoate
CID 103150170

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-propan-2-ylazetidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-(3-amino-3-propan-2-ylazetidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one (CID 103212944) is 1-(3-amino-3-propan-2-ylazetidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(3-amino-3-propan-2-ylazetidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-(3-amino-3-propan-2-ylazetidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one is CC(C)C1(N)CN(C(=O)CCOCC(F)(F)F)C1.
What is the InChIKey of 1-(3-amino-3-propan-2-ylazetidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is OHKDZOUNPSPXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8(2)10(15)5-16(6-10)9(17)3-4-18-7-11(12,13)14/h8H,3-7,15H2,1-2H3.
What are the key properties of 1-(3-amino-3-propan-2-ylazetidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
1-(3-amino-3-propan-2-ylazetidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 268.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-propan-2-ylazetidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 103212944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).