3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-propoxycyclobutan-1-amine

C11H17F6NO2 — CID 107943896

IUPAC3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NC)CC1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6NO2/c1-3-4-19-8-6(18-2)5-7(8)20-9(10(12,13)14)11(15,16)17/h6-9,18H,3-5H2,1-2H3
InChIKeyOJYOWVWKCZWRLB-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.65
Rot. Bonds6

About 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-propoxycyclobutan-1-amine

3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-propoxycyclobutan-1-amine (PubChem CID 107943896) has the molecular formula C11H17F6NO2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-propoxycyclobutan-1-amine
PubChem CID107943896
Molecular FormulaC11H17F6NO2
Molecular Weight309.25 g/mol
Exact Mass309.12
IUPAC Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NC)CC1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6NO2/c1-3-4-19-8-6(18-2)5-7(8)20-9(10(12,13)14)11(15,16)17/h6-9,18H,3-5H2,1-2H3
InChIKeyOJYOWVWKCZWRLB-UHFFFAOYSA-N
XLogP2.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-propoxycyclobutan-1-amine?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-propoxycyclobutan-1-amine (CID 107943896) is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-propoxycyclobutan-1-amine.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-propoxycyclobutan-1-amine?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-propoxycyclobutan-1-amine is CCCOC1C(NC)CC1OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-propoxycyclobutan-1-amine?
The InChIKey is OJYOWVWKCZWRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO2/c1-3-4-19-8-6(18-2)5-7(8)20-9(10(12,13)14)11(15,16)17/h6-9,18H,3-5H2,1-2H3.
What are the key properties of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-propoxycyclobutan-1-amine?
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-propoxycyclobutan-1-amine has a molecular weight of 309.25 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).