2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one

C12H11FO2 — CID 114674627

IUPAC2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one
SMILESO=C1CC(C2CC2)Oc2cc(F)ccc21
InChIInChI=1S/C12H11FO2/c13-8-3-4-9-10(14)6-11(7-1-2-7)15-12(9)5-8/h3-5,7,11H,1-2,6H2
InChIKeyIGAMHPIDKLNKTG-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.57
Rot. Bonds1

About 2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one

2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one (PubChem CID 114674627) has the molecular formula C12H11FO2 and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one
PubChem CID114674627
Molecular FormulaC12H11FO2
Molecular Weight206.22 g/mol
Exact Mass206.07
IUPAC Name2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one
SMILESO=C1CC(C2CC2)Oc2cc(F)ccc21
InChIInChI=1S/C12H11FO2/c13-8-3-4-9-10(14)6-11(7-1-2-7)15-12(9)5-8/h3-5,7,11H,1-2,6H2
InChIKeyIGAMHPIDKLNKTG-UHFFFAOYSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-7-fluoro-2,3-dihydrochromen-4-one
CID 172550133
2-cyclopropyl-2,3-dihydrochromen-4-one
CID 114671469
6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one
CID 114672162
2-(4-cyclopropylphenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674557
2-(3,5-dichlorophenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674547
2-(3-bromothiophen-2-yl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674866
7-bromo-2-(oxolan-3-yl)-2,3-dihydrochromen-4-one
CID 114673038
7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 114674580
7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 5271543
2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674698
2-cyclobutyl-6-methyl-2,3-dihydrochromen-4-one
CID 114673730
7-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114674787

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one?
The IUPAC name of 2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one (CID 114674627) is 2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one is O=C1CC(C2CC2)Oc2cc(F)ccc21.
What is the InChIKey of 2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one?
The InChIKey is IGAMHPIDKLNKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO2/c13-8-3-4-9-10(14)6-11(7-1-2-7)15-12(9)5-8/h3-5,7,11H,1-2,6H2.
What are the key properties of 2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one?
2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one has a molecular weight of 206.22 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114674627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).