5-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-1-methyltetrazole

C10H11FN4 — CID 174192481

IUPAC5-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-1-methyltetrazole
SMILESC=C/C=C\C(=C(\F)C=C)c1nnnn1C
InChIInChI=1S/C10H11FN4/c1-4-6-7-8(9(11)5-2)10-12-13-14-15(10)3/h4-7H,1-2H2,3H3/b7-6-,9-8-
InChIKeyNOZDMLJFEKWISE-JPDBVBESSA-N
MW206.22 g/mol
LogP1.82
Rot. Bonds4

About 5-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-1-methyltetrazole

5-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-1-methyltetrazole (PubChem CID 174192481) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-1-methyltetrazole.

Molecular Properties

Compound Name5-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-1-methyltetrazole
PubChem CID174192481
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name5-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-1-methyltetrazole
SMILESC=C/C=C\C(=C(\F)C=C)c1nnnn1C
InChIInChI=1S/C10H11FN4/c1-4-6-7-8(9(11)5-2)10-12-13-14-15(10)3/h4-7H,1-2H2,3H3/b7-6-,9-8-
InChIKeyNOZDMLJFEKWISE-JPDBVBESSA-N
XLogP1.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-1-methyltetrazole?
The IUPAC name of 5-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-1-methyltetrazole (CID 174192481) is 5-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-1-methyltetrazole.
What is the SMILES notation for 5-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-1-methyltetrazole?
The canonical SMILES for 5-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-1-methyltetrazole is C=C/C=C\C(=C(\F)C=C)c1nnnn1C.
What is the InChIKey of 5-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-1-methyltetrazole?
The InChIKey is NOZDMLJFEKWISE-JPDBVBESSA-N. The full InChI is InChI=1S/C10H11FN4/c1-4-6-7-8(9(11)5-2)10-12-13-14-15(10)3/h4-7H,1-2H2,3H3/b7-6-,9-8-.
What are the key properties of 5-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-1-methyltetrazole?
5-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-1-methyltetrazole has a molecular weight of 206.22 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-1-methyltetrazole is sourced from PubChem (CID 174192481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).