7-(chloromethyl)-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one;ethane

C14H15ClFNO2 — CID 176996079

IUPAC7-(chloromethyl)-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one;ethane
SMILESCC.O=c1[nH]c2c(F)c(CCl)ccc2c2c1CCO2
InChIInChI=1S/C12H9ClFNO2.C2H6/c13-5-6-1-2-7-10(9(6)14)15-12(16)8-3-4-17-11(7)8;1-2/h1-2H,3-5H2,(H,15,16);1-2H3
InChIKeyMSLMRZFFHHQQBS-UHFFFAOYSA-N
MW283.73 g/mol
LogP3.37
Rot. Bonds1

About 7-(chloromethyl)-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one;ethane

7-(chloromethyl)-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one;ethane (PubChem CID 176996079) has the molecular formula C14H15ClFNO2 and a molecular weight of 283.73 g/mol. Its IUPAC name is 7-(chloromethyl)-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one;ethane.

Molecular Properties

Compound Name7-(chloromethyl)-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one;ethane
PubChem CID176996079
Molecular FormulaC14H15ClFNO2
Molecular Weight283.73 g/mol
Exact Mass283.08
IUPAC Name7-(chloromethyl)-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one;ethane
SMILESCC.O=c1[nH]c2c(F)c(CCl)ccc2c2c1CCO2
InChIInChI=1S/C12H9ClFNO2.C2H6/c13-5-6-1-2-7-10(9(6)14)15-12(16)8-3-4-17-11(7)8;1-2/h1-2H,3-5H2,(H,15,16);1-2H3
InChIKeyMSLMRZFFHHQQBS-UHFFFAOYSA-N
XLogP3.37
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one;ethane?
The IUPAC name of 7-(chloromethyl)-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one;ethane (CID 176996079) is 7-(chloromethyl)-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one;ethane.
What is the SMILES notation for 7-(chloromethyl)-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one;ethane?
The canonical SMILES for 7-(chloromethyl)-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one;ethane is CC.O=c1[nH]c2c(F)c(CCl)ccc2c2c1CCO2.
What is the InChIKey of 7-(chloromethyl)-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one;ethane?
The InChIKey is MSLMRZFFHHQQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO2.C2H6/c13-5-6-1-2-7-10(9(6)14)15-12(16)8-3-4-17-11(7)8;1-2/h1-2H,3-5H2,(H,15,16);1-2H3.
What are the key properties of 7-(chloromethyl)-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one;ethane?
7-(chloromethyl)-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one;ethane has a molecular weight of 283.73 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one;ethane is sourced from PubChem (CID 176996079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).