N-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline

C15H10F3NO — CID 80701760

IUPACN-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline
SMILESFc1cc(F)c(NCc2coc3ccccc23)c(F)c1
InChIInChI=1S/C15H10F3NO/c16-10-5-12(17)15(13(18)6-10)19-7-9-8-20-14-4-2-1-3-11(9)14/h1-6,8,19H,7H2
InChIKeyQCPVZIMSFZYCRT-UHFFFAOYSA-N
MW277.25 g/mol
LogP4.46
Rot. Bonds3

About N-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline

N-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline (PubChem CID 80701760) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline
PubChem CID80701760
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC NameN-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline
SMILESFc1cc(F)c(NCc2coc3ccccc23)c(F)c1
InChIInChI=1S/C15H10F3NO/c16-10-5-12(17)15(13(18)6-10)19-7-9-8-20-14-4-2-1-3-11(9)14/h1-6,8,19H,7H2
InChIKeyQCPVZIMSFZYCRT-UHFFFAOYSA-N
XLogP4.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline
CID 80701548
N-(1-benzofuran-3-ylmethyl)-3-fluoro-5-nitroaniline
CID 107334592
2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine
CID 115124164
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline
CID 107527339
N-(1-benzofuran-3-ylmethyl)-2-chloro-6-methylaniline
CID 80703405
N-(1-benzofuran-3-ylmethyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 80700989
N-(1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 80700752
4-N-(1-benzofuran-3-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 115265694
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methylaniline
CID 107630587
2-(1-benzofuran-3-ylmethylamino)-2-methylpropanenitrile
CID 115129363
N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine
CID 115204462
3-(1-benzofuran-3-ylmethylamino)benzoic acid
CID 80701632

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline (CID 80701760) is N-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline is Fc1cc(F)c(NCc2coc3ccccc23)c(F)c1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline?
The InChIKey is QCPVZIMSFZYCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO/c16-10-5-12(17)15(13(18)6-10)19-7-9-8-20-14-4-2-1-3-11(9)14/h1-6,8,19H,7H2.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline?
N-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline has a molecular weight of 277.25 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline is sourced from PubChem (CID 80701760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).