4-fluoro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline

C13H16FN5O — CID 61376038

IUPAC4-fluoro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline
SMILESCC(C1CCCO1)n1nnnc1-c1cc(F)ccc1N
InChIInChI=1S/C13H16FN5O/c1-8(12-3-2-6-20-12)19-13(16-17-18-19)10-7-9(14)4-5-11(10)15/h4-5,7-8,12H,2-3,6,15H2,1H3
InChIKeyVRBNFIVRAMGEEF-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.80
Rot. Bonds3

About 4-fluoro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline

4-fluoro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline (PubChem CID 61376038) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-fluoro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline
PubChem CID61376038
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name4-fluoro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline
SMILESCC(C1CCCO1)n1nnnc1-c1cc(F)ccc1N
InChIInChI=1S/C13H16FN5O/c1-8(12-3-2-6-20-12)19-13(16-17-18-19)10-7-9(14)4-5-11(10)15/h4-5,7-8,12H,2-3,6,15H2,1H3
InChIKeyVRBNFIVRAMGEEF-UHFFFAOYSA-N
XLogP1.80
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline?
The IUPAC name of 4-fluoro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline (CID 61376038) is 4-fluoro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 4-fluoro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline?
The canonical SMILES for 4-fluoro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline is CC(C1CCCO1)n1nnnc1-c1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline?
The InChIKey is VRBNFIVRAMGEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c1-8(12-3-2-6-20-12)19-13(16-17-18-19)10-7-9(14)4-5-11(10)15/h4-5,7-8,12H,2-3,6,15H2,1H3.
What are the key properties of 4-fluoro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline?
4-fluoro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline has a molecular weight of 277.30 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 61376038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).