(E)-2-fluoro-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol

C12H11FN2O — CID 22630807

IUPAC(E)-2-fluoro-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol
SMILESOC/C(F)=C\c1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H11FN2O/c13-11(9-16)6-10-7-14-15(8-10)12-4-2-1-3-5-12/h1-8,16H,9H2/b11-6+
InChIKeyOUUFWFBRCDDINV-IZZDOVSWSA-N
MW218.23 g/mol
LogP2.17
Rot. Bonds3

About (E)-2-fluoro-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol

(E)-2-fluoro-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol (PubChem CID 22630807) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is (E)-2-fluoro-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-fluoro-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol
PubChem CID22630807
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name(E)-2-fluoro-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol
SMILESOC/C(F)=C\c1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H11FN2O/c13-11(9-16)6-10-7-14-15(8-10)12-4-2-1-3-5-12/h1-8,16H,9H2/b11-6+
InChIKeyOUUFWFBRCDDINV-IZZDOVSWSA-N
XLogP2.17
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol?
The IUPAC name of (E)-2-fluoro-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol (CID 22630807) is (E)-2-fluoro-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-2-fluoro-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-2-fluoro-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol is OC/C(F)=C\c1cnn(-c2ccccc2)c1.
What is the InChIKey of (E)-2-fluoro-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol?
The InChIKey is OUUFWFBRCDDINV-IZZDOVSWSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-11(9-16)6-10-7-14-15(8-10)12-4-2-1-3-5-12/h1-8,16H,9H2/b11-6+.
What are the key properties of (E)-2-fluoro-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol?
(E)-2-fluoro-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol has a molecular weight of 218.23 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 22630807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).