2-fluoro-N-[1-(furan-2-yl)ethyl]-5-(tetrazol-1-yl)aniline

C13H12FN5O — CID 60943526

IUPAC2-fluoro-N-[1-(furan-2-yl)ethyl]-5-(tetrazol-1-yl)aniline
SMILESCC(Nc1cc(-n2cnnn2)ccc1F)c1ccco1
InChIInChI=1S/C13H12FN5O/c1-9(13-3-2-6-20-13)16-12-7-10(4-5-11(12)14)19-8-15-17-18-19/h2-9,16H,1H3
InChIKeyOKPBGUXXTOFLME-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.57
Rot. Bonds4

About 2-fluoro-N-[1-(furan-2-yl)ethyl]-5-(tetrazol-1-yl)aniline

2-fluoro-N-[1-(furan-2-yl)ethyl]-5-(tetrazol-1-yl)aniline (PubChem CID 60943526) has the molecular formula C13H12FN5O and a molecular weight of 273.27 g/mol. Its IUPAC name is 2-fluoro-N-[1-(furan-2-yl)ethyl]-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-fluoro-N-[1-(furan-2-yl)ethyl]-5-(tetrazol-1-yl)aniline
PubChem CID60943526
Molecular FormulaC13H12FN5O
Molecular Weight273.27 g/mol
Exact Mass273.10
IUPAC Name2-fluoro-N-[1-(furan-2-yl)ethyl]-5-(tetrazol-1-yl)aniline
SMILESCC(Nc1cc(-n2cnnn2)ccc1F)c1ccco1
InChIInChI=1S/C13H12FN5O/c1-9(13-3-2-6-20-13)16-12-7-10(4-5-11(12)14)19-8-15-17-18-19/h2-9,16H,1H3
InChIKeyOKPBGUXXTOFLME-UHFFFAOYSA-N
XLogP2.57
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline
CID 60972679
2-fluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43194896
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43192518
(2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide
CID 104902971
N-[(5-ethylfuran-2-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline
CID 62346177
N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline
CID 55820884
N-[1-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55991992
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide
CID 60556708
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286663
N-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline
CID 64762871

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(furan-2-yl)ethyl]-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-fluoro-N-[1-(furan-2-yl)ethyl]-5-(tetrazol-1-yl)aniline (CID 60943526) is 2-fluoro-N-[1-(furan-2-yl)ethyl]-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-fluoro-N-[1-(furan-2-yl)ethyl]-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-fluoro-N-[1-(furan-2-yl)ethyl]-5-(tetrazol-1-yl)aniline is CC(Nc1cc(-n2cnnn2)ccc1F)c1ccco1.
What is the InChIKey of 2-fluoro-N-[1-(furan-2-yl)ethyl]-5-(tetrazol-1-yl)aniline?
The InChIKey is OKPBGUXXTOFLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O/c1-9(13-3-2-6-20-13)16-12-7-10(4-5-11(12)14)19-8-15-17-18-19/h2-9,16H,1H3.
What are the key properties of 2-fluoro-N-[1-(furan-2-yl)ethyl]-5-(tetrazol-1-yl)aniline?
2-fluoro-N-[1-(furan-2-yl)ethyl]-5-(tetrazol-1-yl)aniline has a molecular weight of 273.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(furan-2-yl)ethyl]-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 60943526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).