3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methoxy-N-propylcyclobutan-1-amine

C11H17F6NO2 — CID 102723575

IUPAC3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC(C(F)(F)F)C(F)(F)F)C1OC
InChIInChI=1S/C11H17F6NO2/c1-3-4-18-6-5-7(8(6)19-2)20-9(10(12,13)14)11(15,16)17/h6-9,18H,3-5H2,1-2H3
InChIKeyYMPXSAYNEUOOFK-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.65
Rot. Bonds6

About 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methoxy-N-propylcyclobutan-1-amine

3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methoxy-N-propylcyclobutan-1-amine (PubChem CID 102723575) 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)-2-methoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methoxy-N-propylcyclobutan-1-amine
PubChem CID102723575
Molecular FormulaC11H17F6NO2
Molecular Weight309.25 g/mol
Exact Mass309.12
IUPAC Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC(C(F)(F)F)C(F)(F)F)C1OC
InChIInChI=1S/C11H17F6NO2/c1-3-4-18-6-5-7(8(6)19-2)20-9(10(12,13)14)11(15,16)17/h6-9,18H,3-5H2,1-2H3
InChIKeyYMPXSAYNEUOOFK-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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Related Compounds

cis-(1R,2S)-2-(2,2-difluoroethoxy)-N-propan-2-ylcyclobutan-1-amine
CID 172108694
2-(2,2-difluoroethoxy)-N-propan-2-ylcyclobutan-1-amine
CID 172108835
cis-(1S,2R)-2-(2,2-difluoroethoxy)-N-propan-2-ylcyclobutan-1-amine
CID 172108866
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyloxan-4-amine
CID 102721860
4-ethoxy-N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]butan-1-amine
CID 102723322
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine
CID 102723359
2-ethoxy-N-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutan-1-amine
CID 102723554
2-Ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutan-1-amine
CID 102723555
N-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methoxycyclobutan-1-amine
CID 102723556
2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylcyclobutan-1-amine
CID 102723558
2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylcyclobutan-1-amine
CID 102723565
N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxycyclobutan-1-amine
CID 103082727

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methoxy-N-propylcyclobutan-1-amine (CID 102723575) is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methoxy-N-propylcyclobutan-1-amine is CCCNC1CC(OC(C(F)(F)F)C(F)(F)F)C1OC.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methoxy-N-propylcyclobutan-1-amine?
The InChIKey is YMPXSAYNEUOOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO2/c1-3-4-18-6-5-7(8(6)19-2)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)-2-methoxy-N-propylcyclobutan-1-amine?
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methoxy-N-propylcyclobutan-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)-2-methoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 102723575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).