2-(oxolan-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

C10H18F3NO2 — CID 62584615

IUPAC2-(oxolan-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)OCC1CCOC1
InChIInChI=1S/C10H18F3NO2/c1-8(4-14-7-10(11,12)13)16-6-9-2-3-15-5-9/h8-9,14H,2-7H2,1H3
InChIKeyLWQXARBRTSBWGW-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.58
Rot. Bonds6

About 2-(oxolan-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(oxolan-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62584615) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(oxolan-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62584615
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2-(oxolan-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)OCC1CCOC1
InChIInChI=1S/C10H18F3NO2/c1-8(4-14-7-10(11,12)13)16-6-9-2-3-15-5-9/h8-9,14H,2-7H2,1H3
InChIKeyLWQXARBRTSBWGW-UHFFFAOYSA-N
XLogP1.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 61881514
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CID 62443874
CID 62443874
CID 62445777
CID 62445777
CID 62445778
CID 62445778
CID 62445973
CID 62445973
CID 62564960
CID 62564960
CID 62565785
CID 62565785
CID 62567252
CID 62567252
CID 62567659
CID 62567659
CID 62572348
CID 62572348

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(oxolan-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62584615) is 2-(oxolan-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(oxolan-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(oxolan-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)OCC1CCOC1.
What is the InChIKey of 2-(oxolan-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is LWQXARBRTSBWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-8(4-14-7-10(11,12)13)16-6-9-2-3-15-5-9/h8-9,14H,2-7H2,1H3.
What are the key properties of 2-(oxolan-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(oxolan-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 241.25 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62584615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).