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

C12H19F3N2O — CID 62569627

IUPAC2-N-ethyl-2-N-(furan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCN(Cc1ccco1)C(C)CNCC(F)(F)F
InChIInChI=1S/C12H19F3N2O/c1-3-17(8-11-5-4-6-18-11)10(2)7-16-9-12(13,14)15/h4-6,10,16H,3,7-9H2,1-2H3
InChIKeyLHPLQPMCOISWFA-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.64
Rot. Bonds7

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

2-N-ethyl-2-N-(furan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 62569627) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(furan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(furan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID62569627
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name2-N-ethyl-2-N-(furan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCN(Cc1ccco1)C(C)CNCC(F)(F)F
InChIInChI=1S/C12H19F3N2O/c1-3-17(8-11-5-4-6-18-11)10(2)7-16-9-12(13,14)15/h4-6,10,16H,3,7-9H2,1-2H3
InChIKeyLHPLQPMCOISWFA-UHFFFAOYSA-N
XLogP2.64
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine
CID 62556964
3-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-propylbutane-1,3-diamine
CID 62461756
2-N,2-N-bis(furan-2-ylmethyl)propane-1,2-diamine
CID 174709691
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569923
2-N-ethyl-2-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61423061
4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 61423197
1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 61423699
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62569525
N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62463343
3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62728690
1-ethyl-1-(furan-2-ylmethyl)-3-(2-methylpropyl)thiourea
CID 115580733
2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide
CID 63579097

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(furan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(furan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 62569627) is 2-N-ethyl-2-N-(furan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(furan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(furan-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-(furan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is LHPLQPMCOISWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-3-17(8-11-5-4-6-18-11)10(2)7-16-9-12(13,14)15/h4-6,10,16H,3,7-9H2,1-2H3.
What are the key properties of 2-N-ethyl-2-N-(furan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-N-ethyl-2-N-(furan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 264.29 g/mol, XLogP of 2.64, 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-(furan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 62569627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).