2-(2-tert-butyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol

C20H20F2N4O — CID 14723906

IUPAC2-(2-tert-butyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol
SMILESCC(C)(C)n1nnc(C(CO)=C(c2ccc(F)cc2)c2ccc(F)cc2)n1
InChIInChI=1S/C20H20F2N4O/c1-20(2,3)26-24-19(23-25-26)17(12-27)18(13-4-8-15(21)9-5-13)14-6-10-16(22)11-7-14/h4-11,27H,12H2,1-3H3
InChIKeyYKZSYIMKZNLHAO-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.66
Rot. Bonds4

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

2-(2-tert-butyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol (PubChem CID 14723906) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is 2-(2-tert-butyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(2-tert-butyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol
PubChem CID14723906
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name2-(2-tert-butyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol
SMILESCC(C)(C)n1nnc(C(CO)=C(c2ccc(F)cc2)c2ccc(F)cc2)n1
InChIInChI=1S/C20H20F2N4O/c1-20(2,3)26-24-19(23-25-26)17(12-27)18(13-4-8-15(21)9-5-13)14-6-10-16(22)11-7-14/h4-11,27H,12H2,1-3H3
InChIKeyYKZSYIMKZNLHAO-UHFFFAOYSA-N
XLogP3.66
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol?
The IUPAC name of 2-(2-tert-butyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol (CID 14723906) is 2-(2-tert-butyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol.
What is the SMILES notation for 2-(2-tert-butyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol?
The canonical SMILES for 2-(2-tert-butyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol is CC(C)(C)n1nnc(C(CO)=C(c2ccc(F)cc2)c2ccc(F)cc2)n1.
What is the InChIKey of 2-(2-tert-butyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol?
The InChIKey is YKZSYIMKZNLHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c1-20(2,3)26-24-19(23-25-26)17(12-27)18(13-4-8-15(21)9-5-13)14-6-10-16(22)11-7-14/h4-11,27H,12H2,1-3H3.
What are the key properties of 2-(2-tert-butyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol?
2-(2-tert-butyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol has a molecular weight of 370.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 14723906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).