N-[(5-ethylfuran-2-yl)methyl]-2,3-difluoroaniline

C13H13F2NO — CID 55062030

IUPACN-[(5-ethylfuran-2-yl)methyl]-2,3-difluoroaniline
SMILESCCc1ccc(CNc2cccc(F)c2F)o1
InChIInChI=1S/C13H13F2NO/c1-2-9-6-7-10(17-9)8-16-12-5-3-4-11(14)13(12)15/h3-7,16H,2,8H2,1H3
InChIKeySSNPBFGILCXNAA-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.73
Rot. Bonds4

About N-[(5-ethylfuran-2-yl)methyl]-2,3-difluoroaniline

N-[(5-ethylfuran-2-yl)methyl]-2,3-difluoroaniline (PubChem CID 55062030) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-2,3-difluoroaniline.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-2,3-difluoroaniline
PubChem CID55062030
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-2,3-difluoroaniline
SMILESCCc1ccc(CNc2cccc(F)c2F)o1
InChIInChI=1S/C13H13F2NO/c1-2-9-6-7-10(17-9)8-16-12-5-3-4-11(14)13(12)15/h3-7,16H,2,8H2,1H3
InChIKeySSNPBFGILCXNAA-UHFFFAOYSA-N
XLogP3.73
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 61076991
3-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methylaniline
CID 55062751
N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylaniline
CID 62346709
N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline
CID 62346504
3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide
CID 62345277
N-[(5-ethylfuran-2-yl)methyl]-2-nitroaniline
CID 62344545
N-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline
CID 62809873
N-benzyl-2,3-difluoroaniline
CID 21321341
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
2-[(5-ethylfuran-2-yl)methylamino]-5-fluorobenzonitrile
CID 82015552
2-bromo-N-[(5-ethylfuran-2-yl)methyl]-4,6-difluoroaniline
CID 62345433
N-[(3,5-dimethylphenyl)methyl]-2,3-difluoroaniline
CID 54978785

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2,3-difluoroaniline?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2,3-difluoroaniline (CID 55062030) is N-[(5-ethylfuran-2-yl)methyl]-2,3-difluoroaniline.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-2,3-difluoroaniline?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-2,3-difluoroaniline is CCc1ccc(CNc2cccc(F)c2F)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-2,3-difluoroaniline?
The InChIKey is SSNPBFGILCXNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-2-9-6-7-10(17-9)8-16-12-5-3-4-11(14)13(12)15/h3-7,16H,2,8H2,1H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-2,3-difluoroaniline?
N-[(5-ethylfuran-2-yl)methyl]-2,3-difluoroaniline has a molecular weight of 237.25 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-2,3-difluoroaniline is sourced from PubChem (CID 55062030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).