7-fluoro-4-prop-1-en-2-yl-2H-phthalazin-1-one

C11H9FN2O — CID 175783636

IUPAC7-fluoro-4-prop-1-en-2-yl-2H-phthalazin-1-one
SMILESC=C(C)c1n[nH]c(=O)c2cc(F)ccc12
InChIInChI=1S/C11H9FN2O/c1-6(2)10-8-4-3-7(12)5-9(8)11(15)14-13-10/h3-5H,1H2,2H3,(H,14,15)
InChIKeyWZPUMBBCLOOXNU-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.10
Rot. Bonds1

About 7-fluoro-4-prop-1-en-2-yl-2H-phthalazin-1-one

7-fluoro-4-prop-1-en-2-yl-2H-phthalazin-1-one (PubChem CID 175783636) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 7-fluoro-4-prop-1-en-2-yl-2H-phthalazin-1-one.

Molecular Properties

Compound Name7-fluoro-4-prop-1-en-2-yl-2H-phthalazin-1-one
PubChem CID175783636
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name7-fluoro-4-prop-1-en-2-yl-2H-phthalazin-1-one
SMILESC=C(C)c1n[nH]c(=O)c2cc(F)ccc12
InChIInChI=1S/C11H9FN2O/c1-6(2)10-8-4-3-7(12)5-9(8)11(15)14-13-10/h3-5H,1H2,2H3,(H,14,15)
InChIKeyWZPUMBBCLOOXNU-UHFFFAOYSA-N
XLogP2.10
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-prop-1-en-2-yl-2H-phthalazin-1-one?
The IUPAC name of 7-fluoro-4-prop-1-en-2-yl-2H-phthalazin-1-one (CID 175783636) is 7-fluoro-4-prop-1-en-2-yl-2H-phthalazin-1-one.
What is the SMILES notation for 7-fluoro-4-prop-1-en-2-yl-2H-phthalazin-1-one?
The canonical SMILES for 7-fluoro-4-prop-1-en-2-yl-2H-phthalazin-1-one is C=C(C)c1n[nH]c(=O)c2cc(F)ccc12.
What is the InChIKey of 7-fluoro-4-prop-1-en-2-yl-2H-phthalazin-1-one?
The InChIKey is WZPUMBBCLOOXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-6(2)10-8-4-3-7(12)5-9(8)11(15)14-13-10/h3-5H,1H2,2H3,(H,14,15).
What are the key properties of 7-fluoro-4-prop-1-en-2-yl-2H-phthalazin-1-one?
7-fluoro-4-prop-1-en-2-yl-2H-phthalazin-1-one has a molecular weight of 204.20 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-prop-1-en-2-yl-2H-phthalazin-1-one is sourced from PubChem (CID 175783636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).