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

C17H14F2N4O — CID 14539526

IUPAC3,3-bis(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol
SMILESCn1nnnc1C(CO)=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H14F2N4O/c1-23-17(20-21-22-23)15(10-24)16(11-2-6-13(18)7-3-11)12-4-8-14(19)9-5-12/h2-9,24H,10H2,1H3
InChIKeyBICBKEBWGISMMS-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.44
Rot. Bonds4

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

3,3-bis(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol (PubChem CID 14539526) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is 3,3-bis(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3,3-bis(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol
PubChem CID14539526
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name3,3-bis(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol
SMILESCn1nnnc1C(CO)=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H14F2N4O/c1-23-17(20-21-22-23)15(10-24)16(11-2-6-13(18)7-3-11)12-4-8-14(19)9-5-12/h2-9,24H,10H2,1H3
InChIKeyBICBKEBWGISMMS-UHFFFAOYSA-N
XLogP2.44
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.44
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-methyltetrazol-5-yl)prop-2-en-1-ol?
The IUPAC name of 3,3-bis(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol (CID 14539526) is 3,3-bis(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol.
What is the SMILES notation for 3,3-bis(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol?
The canonical SMILES for 3,3-bis(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol is Cn1nnnc1C(CO)=C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 3,3-bis(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol?
The InChIKey is BICBKEBWGISMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O/c1-23-17(20-21-22-23)15(10-24)16(11-2-6-13(18)7-3-11)12-4-8-14(19)9-5-12/h2-9,24H,10H2,1H3.
What are the key properties of 3,3-bis(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol?
3,3-bis(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol has a molecular weight of 328.32 g/mol, XLogP of 2.44, 4 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-methyltetrazol-5-yl)prop-2-en-1-ol is sourced from PubChem (CID 14539526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).