3-(furan-2-carbonyl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one

C14H8F3NO3 — CID 70391342

IUPAC3-(furan-2-carbonyl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(C(F)(F)F)cc2C1C(=O)c1ccco1
InChIInChI=1S/C14H8F3NO3/c15-14(16,17)7-3-4-9-8(6-7)11(13(20)18-9)12(19)10-2-1-5-21-10/h1-6,11H,(H,18,20)
InChIKeyPAOHOTMVBPLGIG-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.22
Rot. Bonds2

About 3-(furan-2-carbonyl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one

3-(furan-2-carbonyl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one (PubChem CID 70391342) has the molecular formula C14H8F3NO3 and a molecular weight of 295.22 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one
PubChem CID70391342
Molecular FormulaC14H8F3NO3
Molecular Weight295.22 g/mol
Exact Mass295.05
IUPAC Name3-(furan-2-carbonyl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(C(F)(F)F)cc2C1C(=O)c1ccco1
InChIInChI=1S/C14H8F3NO3/c15-14(16,17)7-3-4-9-8(6-7)11(13(20)18-9)12(19)10-2-1-5-21-10/h1-6,11H,(H,18,20)
InChIKeyPAOHOTMVBPLGIG-UHFFFAOYSA-N
XLogP3.22
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(furan-2-carbonyl)-1,3-dihydroindol-2-one
CID 98176128
(3aR,9bR)-8-(trifluoromethyl)-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one
CID 122387866
2-(furan-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarbonitrile
CID 141135822
N-[2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 134006588
(3S)-3-fluoro-6-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 124938881
furan-2-yl-[2-(trifluoromethyl)cyclopropyl]methanone
CID 122389475
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998
2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid
CID 79530106
3-(2-methylpentan-3-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 106986831
6-hydroxy-2-[[3-(trifluoromethyl)phenyl]methyl]-4H-1,4-benzoxazin-3-one
CID 82228714
2-[3-oxo-7-(trifluoromethyl)-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid
CID 82184609
furan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105099277

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(furan-2-carbonyl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one (CID 70391342) is 3-(furan-2-carbonyl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(furan-2-carbonyl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one is O=C1Nc2ccc(C(F)(F)F)cc2C1C(=O)c1ccco1.
What is the InChIKey of 3-(furan-2-carbonyl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one?
The InChIKey is PAOHOTMVBPLGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO3/c15-14(16,17)7-3-4-9-8(6-7)11(13(20)18-9)12(19)10-2-1-5-21-10/h1-6,11H,(H,18,20).
What are the key properties of 3-(furan-2-carbonyl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one?
3-(furan-2-carbonyl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one has a molecular weight of 295.22 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 70391342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).