5-[2-(2-methylpropoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]-2H-tetrazole

C19H25F3N4O — CID 174311200

IUPAC5-[2-(2-methylpropoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]-2H-tetrazole
SMILESCC(C)COCc1cccc(C2CCC(C(F)(F)F)CC2)c1-c1nn[nH]n1
InChIInChI=1S/C19H25F3N4O/c1-12(2)10-27-11-14-4-3-5-16(17(14)18-23-25-26-24-18)13-6-8-15(9-7-13)19(20,21)22/h3-5,12-13,15H,6-11H2,1-2H3,(H,23,24,25,26)
InChIKeyBUQOQZNDMDMUIC-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.88
Rot. Bonds6

About 5-[2-(2-methylpropoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]-2H-tetrazole

5-[2-(2-methylpropoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]-2H-tetrazole (PubChem CID 174311200) has the molecular formula C19H25F3N4O and a molecular weight of 382.43 g/mol. Its IUPAC name is 5-[2-(2-methylpropoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-(2-methylpropoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]-2H-tetrazole
PubChem CID174311200
Molecular FormulaC19H25F3N4O
Molecular Weight382.43 g/mol
Exact Mass382.20
IUPAC Name5-[2-(2-methylpropoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]-2H-tetrazole
SMILESCC(C)COCc1cccc(C2CCC(C(F)(F)F)CC2)c1-c1nn[nH]n1
InChIInChI=1S/C19H25F3N4O/c1-12(2)10-27-11-14-4-3-5-16(17(14)18-23-25-26-24-18)13-6-8-15(9-7-13)19(20,21)22/h3-5,12-13,15H,6-11H2,1-2H3,(H,23,24,25,26)
InChIKeyBUQOQZNDMDMUIC-UHFFFAOYSA-N
XLogP4.88
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(cyclohexen-1-yl)-2-(2H-tetrazol-5-yl)phenyl]butan-1-ol
CID 177643783
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-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]-2H-tetrazole
CID 174311023
5-[2-(propoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]-2H-tetrazole
CID 174311192
potassium;hydride;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol
CID 175100888
2-methylpropan-2-amine;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol
CID 175722072

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylpropoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[2-(2-methylpropoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]-2H-tetrazole (CID 174311200) is 5-[2-(2-methylpropoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-(2-methylpropoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[2-(2-methylpropoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]-2H-tetrazole is CC(C)COCc1cccc(C2CCC(C(F)(F)F)CC2)c1-c1nn[nH]n1.
What is the InChIKey of 5-[2-(2-methylpropoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]-2H-tetrazole?
The InChIKey is BUQOQZNDMDMUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O/c1-12(2)10-27-11-14-4-3-5-16(17(14)18-23-25-26-24-18)13-6-8-15(9-7-13)19(20,21)22/h3-5,12-13,15H,6-11H2,1-2H3,(H,23,24,25,26).
What are the key properties of 5-[2-(2-methylpropoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]-2H-tetrazole?
5-[2-(2-methylpropoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]-2H-tetrazole has a molecular weight of 382.43 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylpropoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 174311200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).