1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)tetrazole

C11H11F3N4 — CID 15470711

IUPAC1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)tetrazole
SMILESCC(C)c1ccc(-n2nnnc2C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N4/c1-7(2)8-3-5-9(6-4-8)18-10(11(12,13)14)15-16-17-18/h3-7H,1-2H3
InChIKeyNDXYYIQVGCTQNW-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.80
Rot. Bonds2

About 1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)tetrazole

1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)tetrazole (PubChem CID 15470711) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)tetrazole
PubChem CID15470711
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)tetrazole
SMILESCC(C)c1ccc(-n2nnnc2C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N4/c1-7(2)8-3-5-9(6-4-8)18-10(11(12,13)14)15-16-17-18/h3-7H,1-2H3
InChIKeyNDXYYIQVGCTQNW-UHFFFAOYSA-N
XLogP2.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 139033
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CID 95204
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CID 3165841
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CID 855892
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CID 3638362
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CID 2054464
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CID 73052842
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CID 2732009
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CID 5749675
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CID 283412
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CID 73052366
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CID 73052518
CID 73052518

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)tetrazole?
The IUPAC name of 1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)tetrazole (CID 15470711) is 1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)tetrazole is CC(C)c1ccc(-n2nnnc2C(F)(F)F)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)tetrazole?
The InChIKey is NDXYYIQVGCTQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c1-7(2)8-3-5-9(6-4-8)18-10(11(12,13)14)15-16-17-18/h3-7H,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)tetrazole?
1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)tetrazole has a molecular weight of 256.23 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 15470711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).