7-fluoro-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole

C24H24FN3O2 — CID 146659134

IUPAC7-fluoro-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole
SMILESCC(C)Oc1ccc(-c2ccc3nnn(-c4ccc(OC(C)C)cc4)c3c2F)cc1
InChIInChI=1S/C24H24FN3O2/c1-15(2)29-19-9-5-17(6-10-19)21-13-14-22-24(23(21)25)28(27-26-22)18-7-11-20(12-8-18)30-16(3)4/h5-16H,1-4H3
InChIKeyANVLQXYEQHHXCE-UHFFFAOYSA-N
MW405.47 g/mol
LogP5.80
Rot. Bonds6

About 7-fluoro-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole

7-fluoro-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole (PubChem CID 146659134) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 7-fluoro-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole.

Molecular Properties

Compound Name7-fluoro-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole
PubChem CID146659134
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name7-fluoro-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole
SMILESCC(C)Oc1ccc(-c2ccc3nnn(-c4ccc(OC(C)C)cc4)c3c2F)cc1
InChIInChI=1S/C24H24FN3O2/c1-15(2)29-19-9-5-17(6-10-19)21-13-14-22-24(23(21)25)28(27-26-22)18-7-11-20(12-8-18)30-16(3)4/h5-16H,1-4H3
InChIKeyANVLQXYEQHHXCE-UHFFFAOYSA-N
XLogP5.80
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.47
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole
CID 134179259
1,6-Bis(4-propan-2-yloxyphenyl)benzotriazole
CID 134179628
1-(Benzotriazol-1-yl)-3-(4-phenylphenoxy)propan-2-one
CID 132819847
1-(Benzotriazol-1-yl)-3-[4-(4-fluorophenyl)phenoxy]propan-2-one
CID 132819848
1-(Benzotriazol-1-yl)-3-[4-(3-fluorophenyl)phenoxy]propan-2-one
CID 132819849
1-(Benzotriazol-1-yl)-3-(4-phenylphenoxy)butan-2-one
CID 132819854
1-(Benzotriazol-1-yl)-3-[4-(4-fluorophenyl)phenoxy]butan-2-one
CID 132819855
1-(Benzotriazol-1-yl)-3-(4-phenylphenoxy)pentan-2-one
CID 134144295
3-(4-methoxyphenyl)-6'-methylspiro[5,7-dihydro-4H-benzotriazole-6,2'-chromene]
CID 155569348
1-[(4-Methoxyphenyl)-diphenylmethyl]benzotriazole
CID 42646849
4-(1H-benzotriazol-1-yl)-5-(4-fluorophenoxy)benzene-1,2-dicarbonitrile
CID 1044964
1-[(3-Methoxyphenyl)-(4-methoxyphenyl)-phenylmethyl]benzotriazole
CID 45272512

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole?
The IUPAC name of 7-fluoro-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole (CID 146659134) is 7-fluoro-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole.
What is the SMILES notation for 7-fluoro-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole?
The canonical SMILES for 7-fluoro-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole is CC(C)Oc1ccc(-c2ccc3nnn(-c4ccc(OC(C)C)cc4)c3c2F)cc1.
What is the InChIKey of 7-fluoro-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole?
The InChIKey is ANVLQXYEQHHXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-15(2)29-19-9-5-17(6-10-19)21-13-14-22-24(23(21)25)28(27-26-22)18-7-11-20(12-8-18)30-16(3)4/h5-16H,1-4H3.
What are the key properties of 7-fluoro-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole?
7-fluoro-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole has a molecular weight of 405.47 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole is sourced from PubChem (CID 146659134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).