2-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C12H23F3N2O — CID 55087708

IUPAC2-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCN(CC1CCCO1)C(C)CNCC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-3-17(8-11-5-4-6-18-11)10(2)7-16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyVYCDJPWIZKWGDP-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.03
Rot. Bonds7

About 2-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

2-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 55087708) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID55087708
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name2-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCN(CC1CCCO1)C(C)CNCC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-3-17(8-11-5-4-6-18-11)10(2)7-16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyVYCDJPWIZKWGDP-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine with MolForge

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Related Compounds

Isopropyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 263171
1,2-Propanediamine, 2-methyl-N-(tetrahydrofurfuryl)-
CID 3057146
(2-Aminoethyl)(methyl)((oxolan-2-yl)methyl)amine
CID 43373754
N1,N1-Dimethyl-N2-((tetrahydrofuran-2-yl)methyl)ethane-1,2-diamine
CID 18524092
(2S,4S)-2-(ethoxymethyl)-4-fluoro-1-methanidylpyrrolidin-1-ium
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2-(1,1,1-Trifluoropropan-2-yloxymethyl)pyrrolidine
CID 66274591
N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 106614013
4,4-Difluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 139417849
1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propan-2-amine
CID 166795986
(4R)-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 169009465
4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 171415811
cis-(1S,2R)-2-(difluoromethoxy)-N-propan-2-ylcyclopentan-1-amine
CID 172108676

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 55087708) is 2-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CCN(CC1CCCO1)C(C)CNCC(F)(F)F.
What is the InChIKey of 2-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is VYCDJPWIZKWGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-3-17(8-11-5-4-6-18-11)10(2)7-16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 2-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 268.32 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 55087708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).