3-ethoxy-2,2-dimethyl-1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclobutan-1-amine

C12H22F4N2O — CID 106293817

IUPAC3-ethoxy-2,2-dimethyl-1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CNCC(F)(F)C(F)F)C1(C)C
InChIInChI=1S/C12H22F4N2O/c1-4-19-8-5-11(17,10(8,2)3)6-18-7-12(15,16)9(13)14/h8-9,18H,4-7,17H2,1-3H3
InChIKeyCVEKZDKLSGKJTM-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.01
Rot. Bonds7

About 3-ethoxy-2,2-dimethyl-1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclobutan-1-amine (PubChem CID 106293817) has the molecular formula C12H22F4N2O and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclobutan-1-amine
PubChem CID106293817
Molecular FormulaC12H22F4N2O
Molecular Weight286.31 g/mol
Exact Mass286.17
IUPAC Name3-ethoxy-2,2-dimethyl-1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CNCC(F)(F)C(F)F)C1(C)C
InChIInChI=1S/C12H22F4N2O/c1-4-19-8-5-11(17,10(8,2)3)6-18-7-12(15,16)9(13)14/h8-9,18H,4-7,17H2,1-3H3
InChIKeyCVEKZDKLSGKJTM-UHFFFAOYSA-N
XLogP2.01
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclobutan-1-amine (CID 106293817) is 3-ethoxy-2,2-dimethyl-1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclobutan-1-amine is CCOC1CC(N)(CNCC(F)(F)C(F)F)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclobutan-1-amine?
The InChIKey is CVEKZDKLSGKJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F4N2O/c1-4-19-8-5-11(17,10(8,2)3)6-18-7-12(15,16)9(13)14/h8-9,18H,4-7,17H2,1-3H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclobutan-1-amine has a molecular weight of 286.31 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 106293817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).