5-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]-2H-tetrazole

C16H20F2N4O — CID 174311023

IUPAC5-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]-2H-tetrazole
SMILESCCOCc1cccc(C2CCC(F)(F)CC2)c1-c1nn[nH]n1
InChIInChI=1S/C16H20F2N4O/c1-2-23-10-12-4-3-5-13(14(12)15-19-21-22-20-15)11-6-8-16(17,18)9-7-11/h3-5,11H,2,6-10H2,1H3,(H,19,20,21,22)
InChIKeyYYWLXKCHMQBIMC-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.70
Rot. Bonds5

About 5-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]-2H-tetrazole

5-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]-2H-tetrazole (PubChem CID 174311023) has the molecular formula C16H20F2N4O and a molecular weight of 322.36 g/mol. Its IUPAC name is 5-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]-2H-tetrazole
PubChem CID174311023
Molecular FormulaC16H20F2N4O
Molecular Weight322.36 g/mol
Exact Mass322.16
IUPAC Name5-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]-2H-tetrazole
SMILESCCOCc1cccc(C2CCC(F)(F)CC2)c1-c1nn[nH]n1
InChIInChI=1S/C16H20F2N4O/c1-2-23-10-12-4-3-5-13(14(12)15-19-21-22-20-15)11-6-8-16(17,18)9-7-11/h3-5,11H,2,6-10H2,1H3,(H,19,20,21,22)
InChIKeyYYWLXKCHMQBIMC-UHFFFAOYSA-N
XLogP3.70
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

potassium 1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-olate
CID 156693773
1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol
CID 156693774
sodium 1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-olate
CID 156693780
lithium 1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-olate
CID 156693783
5-[4-[2,5-bis(methoxymethyl)-4-[2,3,5,6-tetrafluoro-4-(2H-tetrazol-5-yl)phenyl]phenyl]-2,3,5,6-tetrafluorophenyl]-2H-tetrazole
CID 164848538
2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide;ethane
CID 170757040
ethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide
CID 170757378
5-[2-(propoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]-2H-tetrazole
CID 174311192
5-[2-(2-methylpropoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]-2H-tetrazole
CID 174311200
potassium;hydride;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol
CID 175100888
5-[2-(4,4-difluorocyclohexyl)-6-(2-methylpropoxymethyl)phenyl]-2H-tetrazole
CID 178458207
2-Methyl-5-[3-[(1-phenylcyclohexyl)methoxymethyl]-5-(trifluoromethyl)phenyl]tetrazole
CID 161024642

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]-2H-tetrazole?
The IUPAC name of 5-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]-2H-tetrazole (CID 174311023) is 5-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]-2H-tetrazole?
The canonical SMILES for 5-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]-2H-tetrazole is CCOCc1cccc(C2CCC(F)(F)CC2)c1-c1nn[nH]n1.
What is the InChIKey of 5-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]-2H-tetrazole?
The InChIKey is YYWLXKCHMQBIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O/c1-2-23-10-12-4-3-5-13(14(12)15-19-21-22-20-15)11-6-8-16(17,18)9-7-11/h3-5,11H,2,6-10H2,1H3,(H,19,20,21,22).
What are the key properties of 5-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]-2H-tetrazole?
5-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]-2H-tetrazole has a molecular weight of 322.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]-2H-tetrazole is sourced from PubChem (CID 174311023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).