(Z)-3-fluoro-3-[4-(4-methylpyrimidin-2-yl)phenyl]prop-2-en-1-ol

C14H13FN2O — CID 22631213

IUPAC(Z)-3-fluoro-3-[4-(4-methylpyrimidin-2-yl)phenyl]prop-2-en-1-ol
SMILESCc1ccnc(-c2ccc(/C(F)=C/CO)cc2)n1
InChIInChI=1S/C14H13FN2O/c1-10-6-8-16-14(17-10)12-4-2-11(3-5-12)13(15)7-9-18/h2-8,18H,9H2,1H3/b13-7-
InChIKeyJUQFPABRDIZPDD-QPEQYQDCSA-N
MW244.27 g/mol
LogP2.75
Rot. Bonds3

About (Z)-3-fluoro-3-[4-(4-methylpyrimidin-2-yl)phenyl]prop-2-en-1-ol

(Z)-3-fluoro-3-[4-(4-methylpyrimidin-2-yl)phenyl]prop-2-en-1-ol (PubChem CID 22631213) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is (Z)-3-fluoro-3-[4-(4-methylpyrimidin-2-yl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-fluoro-3-[4-(4-methylpyrimidin-2-yl)phenyl]prop-2-en-1-ol
PubChem CID22631213
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name(Z)-3-fluoro-3-[4-(4-methylpyrimidin-2-yl)phenyl]prop-2-en-1-ol
SMILESCc1ccnc(-c2ccc(/C(F)=C/CO)cc2)n1
InChIInChI=1S/C14H13FN2O/c1-10-6-8-16-14(17-10)12-4-2-11(3-5-12)13(15)7-9-18/h2-8,18H,9H2,1H3/b13-7-
InChIKeyJUQFPABRDIZPDD-QPEQYQDCSA-N
XLogP2.75
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-3-[4-(4-methylpyrimidin-2-yl)phenyl]prop-2-en-1-ol?
The IUPAC name of (Z)-3-fluoro-3-[4-(4-methylpyrimidin-2-yl)phenyl]prop-2-en-1-ol (CID 22631213) is (Z)-3-fluoro-3-[4-(4-methylpyrimidin-2-yl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-fluoro-3-[4-(4-methylpyrimidin-2-yl)phenyl]prop-2-en-1-ol?
The canonical SMILES for (Z)-3-fluoro-3-[4-(4-methylpyrimidin-2-yl)phenyl]prop-2-en-1-ol is Cc1ccnc(-c2ccc(/C(F)=C/CO)cc2)n1.
What is the InChIKey of (Z)-3-fluoro-3-[4-(4-methylpyrimidin-2-yl)phenyl]prop-2-en-1-ol?
The InChIKey is JUQFPABRDIZPDD-QPEQYQDCSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-10-6-8-16-14(17-10)12-4-2-11(3-5-12)13(15)7-9-18/h2-8,18H,9H2,1H3/b13-7-.
What are the key properties of (Z)-3-fluoro-3-[4-(4-methylpyrimidin-2-yl)phenyl]prop-2-en-1-ol?
(Z)-3-fluoro-3-[4-(4-methylpyrimidin-2-yl)phenyl]prop-2-en-1-ol has a molecular weight of 244.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-3-[4-(4-methylpyrimidin-2-yl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 22631213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).