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

C18H16F2N4O — CID 14723824

IUPAC2-(2-ethyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol
SMILESCCn1nnc(C(CO)=C(c2ccc(F)cc2)c2ccc(F)cc2)n1
InChIInChI=1S/C18H16F2N4O/c1-2-24-22-18(21-23-24)16(11-25)17(12-3-7-14(19)8-4-12)13-5-9-15(20)10-6-13/h3-10,25H,2,11H2,1H3
InChIKeyYYCJIJBHIVOWQH-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.92
Rot. Bonds5

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

2-(2-ethyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol (PubChem CID 14723824) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-(2-ethyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(2-ethyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol
PubChem CID14723824
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name2-(2-ethyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol
SMILESCCn1nnc(C(CO)=C(c2ccc(F)cc2)c2ccc(F)cc2)n1
InChIInChI=1S/C18H16F2N4O/c1-2-24-22-18(21-23-24)16(11-25)17(12-3-7-14(19)8-4-12)13-5-9-15(20)10-6-13/h3-10,25H,2,11H2,1H3
InChIKeyYYCJIJBHIVOWQH-UHFFFAOYSA-N
XLogP2.92
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol?
The IUPAC name of 2-(2-ethyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol (CID 14723824) is 2-(2-ethyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol.
What is the SMILES notation for 2-(2-ethyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol?
The canonical SMILES for 2-(2-ethyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol is CCn1nnc(C(CO)=C(c2ccc(F)cc2)c2ccc(F)cc2)n1.
What is the InChIKey of 2-(2-ethyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol?
The InChIKey is YYCJIJBHIVOWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c1-2-24-22-18(21-23-24)16(11-25)17(12-3-7-14(19)8-4-12)13-5-9-15(20)10-6-13/h3-10,25H,2,11H2,1H3.
What are the key properties of 2-(2-ethyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol?
2-(2-ethyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol has a molecular weight of 342.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyltetrazol-5-yl)-3,3-bis(4-fluorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 14723824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).