1-(4,4-difluoro-2,3-dihydrochromen-6-yl)ethanone

C11H10F2O2 — CID 83853581

IUPAC1-(4,4-difluoro-2,3-dihydrochromen-6-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)C(F)(F)CCO2
InChIInChI=1S/C11H10F2O2/c1-7(14)8-2-3-10-9(6-8)11(12,13)4-5-15-10/h2-3,6H,4-5H2,1H3
InChIKeyXDCAOGHTMJTDSG-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.76
Rot. Bonds1

About 1-(4,4-difluoro-2,3-dihydrochromen-6-yl)ethanone

1-(4,4-difluoro-2,3-dihydrochromen-6-yl)ethanone (PubChem CID 83853581) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is 1-(4,4-difluoro-2,3-dihydrochromen-6-yl)ethanone.

Molecular Properties

Compound Name1-(4,4-difluoro-2,3-dihydrochromen-6-yl)ethanone
PubChem CID83853581
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name1-(4,4-difluoro-2,3-dihydrochromen-6-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)C(F)(F)CCO2
InChIInChI=1S/C11H10F2O2/c1-7(14)8-2-3-10-9(6-8)11(12,13)4-5-15-10/h2-3,6H,4-5H2,1H3
InChIKeyXDCAOGHTMJTDSG-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-spiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-ylethanone
CID 175880774
4,4-difluoro-2,3-dihydrochromen-6-amine
CID 83853743
1-(21-acetyl-2,5,12,15,18-pentaoxatricyclo[17.4.0.06,11]tricosa-1(19),6(11),7,9,20,22-hexaen-8-yl)ethanone
CID 3935960
2'-deuterio-N-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-carboxamide
CID 175740085
4-[(E)-2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)prop-1-enyl]benzoate
CID 18632315
(5-acetyl-3-methyl-2H-1-benzofuran-3-yl)methyl acetate
CID 101121698
4,4-difluoro-7-methyl-2,3-dihydrochromene
CID 84718817
1-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)ethanone
CID 3911959
1-(2,3-dihydro-1,4-benzoxathiin-6-yl)ethanone
CID 178137541
N-propan-2-ylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-carboxamide
CID 175740103
5-acetylspiro[1-benzofuran-2,3'-oxolane]-2',3-dione
CID 12925972
5-[(Z)-2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)prop-1-enyl]thiophene-2-carboxylic acid
CID 70476862

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoro-2,3-dihydrochromen-6-yl)ethanone?
The IUPAC name of 1-(4,4-difluoro-2,3-dihydrochromen-6-yl)ethanone (CID 83853581) is 1-(4,4-difluoro-2,3-dihydrochromen-6-yl)ethanone.
What is the SMILES notation for 1-(4,4-difluoro-2,3-dihydrochromen-6-yl)ethanone?
The canonical SMILES for 1-(4,4-difluoro-2,3-dihydrochromen-6-yl)ethanone is CC(=O)c1ccc2c(c1)C(F)(F)CCO2.
What is the InChIKey of 1-(4,4-difluoro-2,3-dihydrochromen-6-yl)ethanone?
The InChIKey is XDCAOGHTMJTDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c1-7(14)8-2-3-10-9(6-8)11(12,13)4-5-15-10/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(4,4-difluoro-2,3-dihydrochromen-6-yl)ethanone?
1-(4,4-difluoro-2,3-dihydrochromen-6-yl)ethanone has a molecular weight of 212.19 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoro-2,3-dihydrochromen-6-yl)ethanone is sourced from PubChem (CID 83853581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).