8-fluoro-6-methyl-2,3-dihydrochromen-4-one

C10H9FO2 — CID 55297608

IUPAC8-fluoro-6-methyl-2,3-dihydrochromen-4-one
SMILESCc1cc(F)c2c(c1)C(=O)CCO2
InChIInChI=1S/C10H9FO2/c1-6-4-7-9(12)2-3-13-10(7)8(11)5-6/h4-5H,2-3H2,1H3
InChIKeyKTCICQCIWJUQLV-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.10
Rot. Bonds

About 8-fluoro-6-methyl-2,3-dihydrochromen-4-one

8-fluoro-6-methyl-2,3-dihydrochromen-4-one (PubChem CID 55297608) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 8-fluoro-6-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name8-fluoro-6-methyl-2,3-dihydrochromen-4-one
PubChem CID55297608
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name8-fluoro-6-methyl-2,3-dihydrochromen-4-one
SMILESCc1cc(F)c2c(c1)C(=O)CCO2
InChIInChI=1S/C10H9FO2/c1-6-4-7-9(12)2-3-13-10(7)8(11)5-6/h4-5H,2-3H2,1H3
InChIKeyKTCICQCIWJUQLV-UHFFFAOYSA-N
XLogP2.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 8-fluoro-6-methyl-2,3-dihydrochromen-4-one (CID 55297608) is 8-fluoro-6-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 8-fluoro-6-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 8-fluoro-6-methyl-2,3-dihydrochromen-4-one is Cc1cc(F)c2c(c1)C(=O)CCO2.
What is the InChIKey of 8-fluoro-6-methyl-2,3-dihydrochromen-4-one?
The InChIKey is KTCICQCIWJUQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c1-6-4-7-9(12)2-3-13-10(7)8(11)5-6/h4-5H,2-3H2,1H3.
What are the key properties of 8-fluoro-6-methyl-2,3-dihydrochromen-4-one?
8-fluoro-6-methyl-2,3-dihydrochromen-4-one has a molecular weight of 180.18 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 55297608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).