2-(2-fluoroethyl)-5-(3-methylbutan-2-yl)tetrazole

C8H15FN4 — CID 163984617

IUPAC2-(2-fluoroethyl)-5-(3-methylbutan-2-yl)tetrazole
SMILESCC(C)C(C)c1nnn(CCF)n1
InChIInChI=1S/C8H15FN4/c1-6(2)7(3)8-10-12-13(11-8)5-4-9/h6-7H,4-5H2,1-3H3
InChIKeyTVECOEOTLRJFBR-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.40
Rot. Bonds4

About 2-(2-fluoroethyl)-5-(3-methylbutan-2-yl)tetrazole

2-(2-fluoroethyl)-5-(3-methylbutan-2-yl)tetrazole (PubChem CID 163984617) has the molecular formula C8H15FN4 and a molecular weight of 186.23 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-5-(3-methylbutan-2-yl)tetrazole.

Molecular Properties

Compound Name2-(2-fluoroethyl)-5-(3-methylbutan-2-yl)tetrazole
PubChem CID163984617
Molecular FormulaC8H15FN4
Molecular Weight186.23 g/mol
Exact Mass186.13
IUPAC Name2-(2-fluoroethyl)-5-(3-methylbutan-2-yl)tetrazole
SMILESCC(C)C(C)c1nnn(CCF)n1
InChIInChI=1S/C8H15FN4/c1-6(2)7(3)8-10-12-13(11-8)5-4-9/h6-7H,4-5H2,1-3H3
InChIKeyTVECOEOTLRJFBR-UHFFFAOYSA-N
XLogP1.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-5-(3-methylbutan-2-yl)tetrazole?
The IUPAC name of 2-(2-fluoroethyl)-5-(3-methylbutan-2-yl)tetrazole (CID 163984617) is 2-(2-fluoroethyl)-5-(3-methylbutan-2-yl)tetrazole.
What is the SMILES notation for 2-(2-fluoroethyl)-5-(3-methylbutan-2-yl)tetrazole?
The canonical SMILES for 2-(2-fluoroethyl)-5-(3-methylbutan-2-yl)tetrazole is CC(C)C(C)c1nnn(CCF)n1.
What is the InChIKey of 2-(2-fluoroethyl)-5-(3-methylbutan-2-yl)tetrazole?
The InChIKey is TVECOEOTLRJFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN4/c1-6(2)7(3)8-10-12-13(11-8)5-4-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-(2-fluoroethyl)-5-(3-methylbutan-2-yl)tetrazole?
2-(2-fluoroethyl)-5-(3-methylbutan-2-yl)tetrazole has a molecular weight of 186.23 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-5-(3-methylbutan-2-yl)tetrazole is sourced from PubChem (CID 163984617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).