5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one

C13H13F3O2 — CID 65446247

IUPAC5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one
SMILESO=C(CCc1ccc2c(c1)CCO2)CC(F)(F)F
InChIInChI=1S/C13H13F3O2/c14-13(15,16)8-11(17)3-1-9-2-4-12-10(7-9)5-6-18-12/h2,4,7H,1,3,5-6,8H2
InChIKeyNSCRTTDKMYBSFI-UHFFFAOYSA-N
MW258.24 g/mol
LogP3.08
Rot. Bonds4

About 5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one

5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one (PubChem CID 65446247) has the molecular formula C13H13F3O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one
PubChem CID65446247
Molecular FormulaC13H13F3O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one
SMILESO=C(CCc1ccc2c(c1)CCO2)CC(F)(F)F
InChIInChI=1S/C13H13F3O2/c14-13(15,16)8-11(17)3-1-9-2-4-12-10(7-9)5-6-18-12/h2,4,7H,1,3,5-6,8H2
InChIKeyNSCRTTDKMYBSFI-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one with MolForge

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)-4-methylpentan-3-one
CID 79047128
6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one
CID 116571723
1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
CID 114974294
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one
CID 79617126
4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one
CID 116559956
1-(3-chlorophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
CID 65446055
3-(2,3-dihydro-1-benzofuran-5-yl)-N,N-diphenylpropanamide
CID 154932181
4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one
CID 116551761
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhex-4-en-3-one
CID 103455479
1-(2,3-dihydro-1-benzofuran-5-yl)-5-(oxolan-2-yl)pentan-3-one
CID 114974276
1-(2,3-dihydro-1-benzofuran-5-yl)-5-(ethylamino)hexan-3-one
CID 116566776
4-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylbutan-2-one
CID 65444542

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one (CID 65446247) is 5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one is O=C(CCc1ccc2c(c1)CCO2)CC(F)(F)F.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one?
The InChIKey is NSCRTTDKMYBSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O2/c14-13(15,16)8-11(17)3-1-9-2-4-12-10(7-9)5-6-18-12/h2,4,7H,1,3,5-6,8H2.
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one?
5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one has a molecular weight of 258.24 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one is sourced from PubChem (CID 65446247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).