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

C11H11FN4O — CID 19868185

IUPAC1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol
SMILESC=C(c1nnnn1C)C(O)c1ccc(F)cc1
InChIInChI=1S/C11H11FN4O/c1-7(11-13-14-15-16(11)2)10(17)8-3-5-9(12)6-4-8/h3-6,10,17H,1H2,2H3
InChIKeyVOWDAOHUNFXECE-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.10
Rot. Bonds3

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

1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol (PubChem CID 19868185) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol
PubChem CID19868185
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol
SMILESC=C(c1nnnn1C)C(O)c1ccc(F)cc1
InChIInChI=1S/C11H11FN4O/c1-7(11-13-14-15-16(11)2)10(17)8-3-5-9(12)6-4-8/h3-6,10,17H,1H2,2H3
InChIKeyVOWDAOHUNFXECE-UHFFFAOYSA-N
XLogP1.10
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol (CID 19868185) is 1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol is C=C(c1nnnn1C)C(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol?
The InChIKey is VOWDAOHUNFXECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-7(11-13-14-15-16(11)2)10(17)8-3-5-9(12)6-4-8/h3-6,10,17H,1H2,2H3.
What are the key properties of 1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol?
1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol has a molecular weight of 234.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)prop-2-en-1-ol is sourced from PubChem (CID 19868185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).