3,3,3-trifluoro-2-[(furan-2-ylmethylamino)methyl]propanenitrile

C9H9F3N2O — CID 103366989

IUPAC3,3,3-trifluoro-2-[(furan-2-ylmethylamino)methyl]propanenitrile
SMILESN#CC(CNCc1ccco1)C(F)(F)F
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)7(4-13)5-14-6-8-2-1-3-15-8/h1-3,7,14H,5-6H2
InChIKeyQGMJSHGXQSWFNO-UHFFFAOYSA-N
MW218.18 g/mol
LogP2.07
Rot. Bonds4

About 3,3,3-trifluoro-2-[(furan-2-ylmethylamino)methyl]propanenitrile

3,3,3-trifluoro-2-[(furan-2-ylmethylamino)methyl]propanenitrile (PubChem CID 103366989) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(furan-2-ylmethylamino)methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(furan-2-ylmethylamino)methyl]propanenitrile
PubChem CID103366989
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name3,3,3-trifluoro-2-[(furan-2-ylmethylamino)methyl]propanenitrile
SMILESN#CC(CNCc1ccco1)C(F)(F)F
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)7(4-13)5-14-6-8-2-1-3-15-8/h1-3,7,14H,5-6H2
InChIKeyQGMJSHGXQSWFNO-UHFFFAOYSA-N
XLogP2.07
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
3,3,3-trifluoro-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]propanenitrile
CID 103367449
N-(furan-2-ylmethyl)-2,2-diphenylethanamine
CID 103603203
1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol
CID 115623530
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569923
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
2-(furan-2-ylmethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile
CID 84816650
2-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367080
(2R)-1-(furan-2-ylmethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 7189037
N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 62557140
3-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]benzonitrile
CID 60901515

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(furan-2-ylmethylamino)methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[(furan-2-ylmethylamino)methyl]propanenitrile (CID 103366989) is 3,3,3-trifluoro-2-[(furan-2-ylmethylamino)methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[(furan-2-ylmethylamino)methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[(furan-2-ylmethylamino)methyl]propanenitrile is N#CC(CNCc1ccco1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(furan-2-ylmethylamino)methyl]propanenitrile?
The InChIKey is QGMJSHGXQSWFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)7(4-13)5-14-6-8-2-1-3-15-8/h1-3,7,14H,5-6H2.
What are the key properties of 3,3,3-trifluoro-2-[(furan-2-ylmethylamino)methyl]propanenitrile?
3,3,3-trifluoro-2-[(furan-2-ylmethylamino)methyl]propanenitrile has a molecular weight of 218.18 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(furan-2-ylmethylamino)methyl]propanenitrile is sourced from PubChem (CID 103366989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).