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

C11H17F3N2O — CID 62569923

IUPAC1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCC(CNCc1ccco1)N(C)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-9(16(2)8-11(12,13)14)6-15-7-10-4-3-5-17-10/h3-5,9,15H,6-8H2,1-2H3
InChIKeyGWHUPKQRXYQLSG-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.25
Rot. Bonds6

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

1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 62569923) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID62569923
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCC(CNCc1ccco1)N(C)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-9(16(2)8-11(12,13)14)6-15-7-10-4-3-5-17-10/h3-5,9,15H,6-8H2,1-2H3
InChIKeyGWHUPKQRXYQLSG-UHFFFAOYSA-N
XLogP2.25
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 55226797
1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62569447
2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569948
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 105418195
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine
CID 62570331
1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 2738628
(2R)-1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 7221655
N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62559417
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 62570167
1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61150201
2-N-ethyl-2-N-(furan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569627

Frequently Asked Questions

What is the IUPAC name of 1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 62569923) is 1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CC(CNCc1ccco1)N(C)CC(F)(F)F.
What is the InChIKey of 1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is GWHUPKQRXYQLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-9(16(2)8-11(12,13)14)6-15-7-10-4-3-5-17-10/h3-5,9,15H,6-8H2,1-2H3.
What are the key properties of 1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 250.26 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 62569923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).