N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine

C10H18F3NO2 — CID 66275871

IUPACN-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine
SMILESCCNC1CCOCC1OC(C)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-3-14-8-4-5-15-6-9(8)16-7(2)10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyXCFWKXJGJIGCDN-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.72
Rot. Bonds4

About N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine

N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine (PubChem CID 66275871) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine
PubChem CID66275871
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC NameN-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine
SMILESCCNC1CCOCC1OC(C)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-3-14-8-4-5-15-6-9(8)16-7(2)10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyXCFWKXJGJIGCDN-UHFFFAOYSA-N
XLogP1.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine?
The IUPAC name of N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine (CID 66275871) is N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine.
What is the SMILES notation for N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine?
The canonical SMILES for N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine is CCNC1CCOCC1OC(C)C(F)(F)F.
What is the InChIKey of N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine?
The InChIKey is XCFWKXJGJIGCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-3-14-8-4-5-15-6-9(8)16-7(2)10(11,12)13/h7-9,14H,3-6H2,1-2H3.
What are the key properties of N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine?
N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine has a molecular weight of 241.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine is sourced from PubChem (CID 66275871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).