3,3-bis(4-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)prop-2-en-1-ol

C19H18F2N4O — CID 14723872

IUPAC3,3-bis(4-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)prop-2-en-1-ol
SMILESCC(C)n1nnnc1C(CO)=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H18F2N4O/c1-12(2)25-19(22-23-24-25)17(11-26)18(13-3-7-15(20)8-4-13)14-5-9-16(21)10-6-14/h3-10,12,26H,11H2,1-2H3
InChIKeySBOKUKTYDGZUJK-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.48
Rot. Bonds5

About 3,3-bis(4-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)prop-2-en-1-ol

3,3-bis(4-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)prop-2-en-1-ol (PubChem CID 14723872) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 3,3-bis(4-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3,3-bis(4-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)prop-2-en-1-ol
PubChem CID14723872
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name3,3-bis(4-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)prop-2-en-1-ol
SMILESCC(C)n1nnnc1C(CO)=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H18F2N4O/c1-12(2)25-19(22-23-24-25)17(11-26)18(13-3-7-15(20)8-4-13)14-5-9-16(21)10-6-14/h3-10,12,26H,11H2,1-2H3
InChIKeySBOKUKTYDGZUJK-UHFFFAOYSA-N
XLogP3.48
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)prop-2-en-1-ol?
The IUPAC name of 3,3-bis(4-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)prop-2-en-1-ol (CID 14723872) is 3,3-bis(4-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)prop-2-en-1-ol.
What is the SMILES notation for 3,3-bis(4-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)prop-2-en-1-ol?
The canonical SMILES for 3,3-bis(4-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)prop-2-en-1-ol is CC(C)n1nnnc1C(CO)=C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 3,3-bis(4-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)prop-2-en-1-ol?
The InChIKey is SBOKUKTYDGZUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c1-12(2)25-19(22-23-24-25)17(11-26)18(13-3-7-15(20)8-4-13)14-5-9-16(21)10-6-14/h3-10,12,26H,11H2,1-2H3.
What are the key properties of 3,3-bis(4-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)prop-2-en-1-ol?
3,3-bis(4-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)prop-2-en-1-ol has a molecular weight of 356.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)prop-2-en-1-ol is sourced from PubChem (CID 14723872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).