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

C12H19F6NO2 — CID 102723558

IUPAC2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC(C(F)(F)F)C(F)(F)F)C1OCC
InChIInChI=1S/C12H19F6NO2/c1-3-5-19-7-6-8(9(7)20-4-2)21-10(11(13,14)15)12(16,17)18/h7-10,19H,3-6H2,1-2H3
InChIKeyGPFLIZXWRQJMNQ-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.04
Rot. Bonds7

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

2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylcyclobutan-1-amine (PubChem CID 102723558) has the molecular formula C12H19F6NO2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylcyclobutan-1-amine
PubChem CID102723558
Molecular FormulaC12H19F6NO2
Molecular Weight323.28 g/mol
Exact Mass323.13
IUPAC Name2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC(C(F)(F)F)C(F)(F)F)C1OCC
InChIInChI=1S/C12H19F6NO2/c1-3-5-19-7-6-8(9(7)20-4-2)21-10(11(13,14)15)12(16,17)18/h7-10,19H,3-6H2,1-2H3
InChIKeyGPFLIZXWRQJMNQ-UHFFFAOYSA-N
XLogP3.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.04
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-methylcyclobutan-1-amine
CID 102723565
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

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylcyclobutan-1-amine?
The IUPAC name of 2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylcyclobutan-1-amine (CID 102723558) is 2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylcyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylcyclobutan-1-amine is CCCNC1CC(OC(C(F)(F)F)C(F)(F)F)C1OCC.
What is the InChIKey of 2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylcyclobutan-1-amine?
The InChIKey is GPFLIZXWRQJMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F6NO2/c1-3-5-19-7-6-8(9(7)20-4-2)21-10(11(13,14)15)12(16,17)18/h7-10,19H,3-6H2,1-2H3.
What are the key properties of 2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylcyclobutan-1-amine?
2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylcyclobutan-1-amine has a molecular weight of 323.28 g/mol, XLogP of 3.04, 7 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-propylcyclobutan-1-amine is sourced from PubChem (CID 102723558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).