2-(furan-2-ylmethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile

C14H11F3N2O — CID 84816650

IUPAC2-(furan-2-ylmethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile
SMILESN#CC(NCc1ccco1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)11-5-3-10(4-6-11)13(8-18)19-9-12-2-1-7-20-12/h1-7,13,19H,9H2
InChIKeyYLGBSCXYWRHXNQ-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.65
Rot. Bonds4

About 2-(furan-2-ylmethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile

2-(furan-2-ylmethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile (PubChem CID 84816650) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile
PubChem CID84816650
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name2-(furan-2-ylmethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile
SMILESN#CC(NCc1ccco1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)11-5-3-10(4-6-11)13(8-18)19-9-12-2-1-7-20-12/h1-7,13,19H,9H2
InChIKeyYLGBSCXYWRHXNQ-UHFFFAOYSA-N
XLogP3.65
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 24700728
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile
CID 54893055
2-(4-chloro-3-nitrophenyl)-2-(furan-2-ylmethylamino)acetonitrile
CID 84816663
2-(butylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile
CID 84816571
N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 105029239
N-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55021280
3,3,3-trifluoro-2-[(furan-2-ylmethylamino)methyl]propanenitrile
CID 103366989
2-(4-tert-butylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 61005238
1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine
CID 43692929
5-(furan-2-ylmethylamino)-5-oxo-3-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 2826232
N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66478739
1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105029270

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile?
The IUPAC name of 2-(furan-2-ylmethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile (CID 84816650) is 2-(furan-2-ylmethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile?
The canonical SMILES for 2-(furan-2-ylmethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile is N#CC(NCc1ccco1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile?
The InChIKey is YLGBSCXYWRHXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-14(16,17)11-5-3-10(4-6-11)13(8-18)19-9-12-2-1-7-20-12/h1-7,13,19H,9H2.
What are the key properties of 2-(furan-2-ylmethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile?
2-(furan-2-ylmethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile has a molecular weight of 280.25 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile is sourced from PubChem (CID 84816650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).