2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylcyclobutan-1-amine

C10H15F6NO2 — CID 102723565

IUPAC2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylcyclobutan-1-amine
SMILESCCOC1C(NC)CC1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6NO2/c1-3-18-7-5(17-2)4-6(7)19-8(9(11,12)13)10(14,15)16/h5-8,17H,3-4H2,1-2H3
InChIKeyJQKFMPBPFSHBBH-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.26
Rot. Bonds5

About 2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylcyclobutan-1-amine

2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylcyclobutan-1-amine (PubChem CID 102723565) has the molecular formula C10H15F6NO2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylcyclobutan-1-amine
PubChem CID102723565
Molecular FormulaC10H15F6NO2
Molecular Weight295.22 g/mol
Exact Mass295.10
IUPAC Name2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylcyclobutan-1-amine
SMILESCCOC1C(NC)CC1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6NO2/c1-3-18-7-5(17-2)4-6(7)19-8(9(11,12)13)10(14,15)16/h5-8,17H,3-4H2,1-2H3
InChIKeyJQKFMPBPFSHBBH-UHFFFAOYSA-N
XLogP2.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.26
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
N-methyl-3-(2,2,3,3-tetrafluoropropoxy)oxan-4-amine
CID 61767621
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyloxan-4-amine
CID 102721866
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
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 102723575
N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxycyclobutan-1-amine
CID 103082727
N-[2-(2,2-difluoroethoxy)ethyl]-3-methoxycyclobutan-1-amine
CID 103083064

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylcyclobutan-1-amine?
The IUPAC name of 2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylcyclobutan-1-amine (CID 102723565) is 2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylcyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylcyclobutan-1-amine is CCOC1C(NC)CC1OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylcyclobutan-1-amine?
The InChIKey is JQKFMPBPFSHBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6NO2/c1-3-18-7-5(17-2)4-6(7)19-8(9(11,12)13)10(14,15)16/h5-8,17H,3-4H2,1-2H3.
What are the key properties of 2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylcyclobutan-1-amine?
2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylcyclobutan-1-amine has a molecular weight of 295.22 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 102723565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).