2,2,3,3-tetrafluoro-4-methoxy-1H-indene

C10H8F4O — CID 86255415

IUPAC2,2,3,3-tetrafluoro-4-methoxy-1H-indene
SMILESCOc1cccc2c1C(F)(F)C(F)(F)C2
InChIInChI=1S/C10H8F4O/c1-15-7-4-2-3-6-5-9(11,12)10(13,14)8(6)7/h2-4H,5H2,1H3
InChIKeyMBYAEBVRZMDBFE-UHFFFAOYSA-N
MW220.16 g/mol
LogP2.98
Rot. Bonds1

About 2,2,3,3-tetrafluoro-4-methoxy-1H-indene

2,2,3,3-tetrafluoro-4-methoxy-1H-indene (PubChem CID 86255415) has the molecular formula C10H8F4O and a molecular weight of 220.16 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-4-methoxy-1H-indene.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-4-methoxy-1H-indene
PubChem CID86255415
Molecular FormulaC10H8F4O
Molecular Weight220.16 g/mol
Exact Mass220.05
IUPAC Name2,2,3,3-tetrafluoro-4-methoxy-1H-indene
SMILESCOc1cccc2c1C(F)(F)C(F)(F)C2
InChIInChI=1S/C10H8F4O/c1-15-7-4-2-3-6-5-9(11,12)10(13,14)8(6)7/h2-4H,5H2,1H3
InChIKeyMBYAEBVRZMDBFE-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine
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3-(2,6-dimethoxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 116811438
5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 177395557
4-methoxy-1,3-dihydroisoindol-2-amine
CID 125426011
1-(1-fluorocyclopropyl)-2-methoxybenzene
CID 22940038
7-methoxy-2,2-dimethyl-1,3-dihydroindole
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CID 12651974

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-4-methoxy-1H-indene?
The IUPAC name of 2,2,3,3-tetrafluoro-4-methoxy-1H-indene (CID 86255415) is 2,2,3,3-tetrafluoro-4-methoxy-1H-indene.
What is the SMILES notation for 2,2,3,3-tetrafluoro-4-methoxy-1H-indene?
The canonical SMILES for 2,2,3,3-tetrafluoro-4-methoxy-1H-indene is COc1cccc2c1C(F)(F)C(F)(F)C2.
What is the InChIKey of 2,2,3,3-tetrafluoro-4-methoxy-1H-indene?
The InChIKey is MBYAEBVRZMDBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O/c1-15-7-4-2-3-6-5-9(11,12)10(13,14)8(6)7/h2-4H,5H2,1H3.
What are the key properties of 2,2,3,3-tetrafluoro-4-methoxy-1H-indene?
2,2,3,3-tetrafluoro-4-methoxy-1H-indene has a molecular weight of 220.16 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-4-methoxy-1H-indene is sourced from PubChem (CID 86255415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).