1-(3-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole

C10H7F5N4O — CID 23117995

IUPAC1-(3-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
SMILESCOc1cccc(-n2nnnc2C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C10H7F5N4O/c1-20-7-4-2-3-6(5-7)19-8(16-17-18-19)9(11,12)10(13,14)15/h2-5H,1H3
InChIKeyWDEJIHYTUUNMQP-UHFFFAOYSA-N
MW294.18 g/mol
LogP2.33
Rot. Bonds3

About 1-(3-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole

1-(3-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole (PubChem CID 23117995) has the molecular formula C10H7F5N4O and a molecular weight of 294.18 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
PubChem CID23117995
Molecular FormulaC10H7F5N4O
Molecular Weight294.18 g/mol
Exact Mass294.05
IUPAC Name1-(3-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
SMILESCOc1cccc(-n2nnnc2C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C10H7F5N4O/c1-20-7-4-2-3-6(5-7)19-8(16-17-18-19)9(11,12)10(13,14)15/h2-5H,1H3
InChIKeyWDEJIHYTUUNMQP-UHFFFAOYSA-N
XLogP2.33
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Methoxy-phenyl)-1H-tetrazole
CID 856021
1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1H-1,2,3,4-tetraazole
CID 1488269
3-(5-methyl-1H-tetrazol-1-yl)phenol
CID 16765171
3-Methoxy-5-(5-methyl-1h-tetrazol-1-yl)aniline
CID 3155252
1-(4-Methoxyphenyl)-5-methyltetrazole
CID 12409991
1-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-tetrazole
CID 11118262
5-Chloro-1-[4-(trifluoromethoxy)phenyl]tetrazole
CID 19609800
5-(1,1,2,2,2-Pentafluoroethyl)-1-(4-propoxyphenyl)tetrazole
CID 23117931
1-(4-Propan-2-yloxyphenyl)-5-(trifluoromethyl)tetrazole
CID 23117937
1-(3-Butoxyphenyl)-5-(trifluoromethyl)tetrazole
CID 23117938
1-(3-Methoxyphenyl)-5-(trifluoromethyl)tetrazole
CID 23117939
5-(1,1,2,2,2-Pentafluoroethyl)-1-(3-propoxyphenyl)tetrazole
CID 23117943

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole?
The IUPAC name of 1-(3-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole (CID 23117995) is 1-(3-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole?
The canonical SMILES for 1-(3-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole is COc1cccc(-n2nnnc2C(F)(F)C(F)(F)F)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole?
The InChIKey is WDEJIHYTUUNMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5N4O/c1-20-7-4-2-3-6(5-7)19-8(16-17-18-19)9(11,12)10(13,14)15/h2-5H,1H3.
What are the key properties of 1-(3-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole?
1-(3-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole has a molecular weight of 294.18 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole is sourced from PubChem (CID 23117995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).