2-[5-[[5-(2-fluorophenyl)furan-2-yl]methylamino]tetrazol-1-yl]ethanol

C14H14FN5O2 — CID 39860868

IUPAC2-[5-[[5-(2-fluorophenyl)furan-2-yl]methylamino]tetrazol-1-yl]ethanol
SMILESOCCn1nnnc1NCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C14H14FN5O2/c15-12-4-2-1-3-11(12)13-6-5-10(22-13)9-16-14-17-18-19-20(14)7-8-21/h1-6,21H,7-9H2,(H,16,17,19)
InChIKeyJSHVEAJYMFYUEN-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.68
Rot. Bonds6

About 2-[5-[[5-(2-fluorophenyl)furan-2-yl]methylamino]tetrazol-1-yl]ethanol

2-[5-[[5-(2-fluorophenyl)furan-2-yl]methylamino]tetrazol-1-yl]ethanol (PubChem CID 39860868) has the molecular formula C14H14FN5O2 and a molecular weight of 303.30 g/mol. Its IUPAC name is 2-[5-[[5-(2-fluorophenyl)furan-2-yl]methylamino]tetrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[[5-(2-fluorophenyl)furan-2-yl]methylamino]tetrazol-1-yl]ethanol
PubChem CID39860868
Molecular FormulaC14H14FN5O2
Molecular Weight303.30 g/mol
Exact Mass303.11
IUPAC Name2-[5-[[5-(2-fluorophenyl)furan-2-yl]methylamino]tetrazol-1-yl]ethanol
SMILESOCCn1nnnc1NCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C14H14FN5O2/c15-12-4-2-1-3-11(12)13-6-5-10(22-13)9-16-14-17-18-19-20(14)7-8-21/h1-6,21H,7-9H2,(H,16,17,19)
InChIKeyJSHVEAJYMFYUEN-UHFFFAOYSA-N
XLogP1.68
TPSA89.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[5-(2-fluorophenyl)furan-2-yl]methylamino]tetrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[[5-(2-fluorophenyl)furan-2-yl]methylamino]tetrazol-1-yl]ethanol (CID 39860868) is 2-[5-[[5-(2-fluorophenyl)furan-2-yl]methylamino]tetrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[[5-(2-fluorophenyl)furan-2-yl]methylamino]tetrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[[5-(2-fluorophenyl)furan-2-yl]methylamino]tetrazol-1-yl]ethanol is OCCn1nnnc1NCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of 2-[5-[[5-(2-fluorophenyl)furan-2-yl]methylamino]tetrazol-1-yl]ethanol?
The InChIKey is JSHVEAJYMFYUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O2/c15-12-4-2-1-3-11(12)13-6-5-10(22-13)9-16-14-17-18-19-20(14)7-8-21/h1-6,21H,7-9H2,(H,16,17,19).
What are the key properties of 2-[5-[[5-(2-fluorophenyl)furan-2-yl]methylamino]tetrazol-1-yl]ethanol?
2-[5-[[5-(2-fluorophenyl)furan-2-yl]methylamino]tetrazol-1-yl]ethanol has a molecular weight of 303.30 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[5-(2-fluorophenyl)furan-2-yl]methylamino]tetrazol-1-yl]ethanol is sourced from PubChem (CID 39860868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).