6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]

C10H9FO — CID 116532256

IUPAC6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]
SMILESFc1ccc2c(c1)CCC21CO1
InChIInChI=1S/C10H9FO/c11-8-1-2-9-7(5-8)3-4-10(9)6-12-10/h1-2,5H,3-4,6H2
InChIKeyQYZCCXOPKRDKGN-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.00
Rot. Bonds

About 6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]

6-fluorospiro[1,2-dihydroindene-3,2'-oxirane] (PubChem CID 116532256) has the molecular formula C10H9FO and a molecular weight of 164.18 g/mol. Its IUPAC name is 6-fluorospiro[1,2-dihydroindene-3,2'-oxirane].

Molecular Properties

Compound Name6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]
PubChem CID116532256
Molecular FormulaC10H9FO
Molecular Weight164.18 g/mol
Exact Mass164.06
IUPAC Name6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]
SMILESFc1ccc2c(c1)CCC21CO1
InChIInChI=1S/C10H9FO/c11-8-1-2-9-7(5-8)3-4-10(9)6-12-10/h1-2,5H,3-4,6H2
InChIKeyQYZCCXOPKRDKGN-UHFFFAOYSA-N
XLogP2.00
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

6-fluorospiro[1H-2-benzofuran-3,3'-azetidine]
CID 155895187
1-ethyl-5-fluoro-2,3-dihydroinden-1-ol
CID 59340428
1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol
CID 116531692
(2S)-2-(2,4-difluorophenyl)-2-methyloxirane
CID 123185465
5-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-amine
CID 116532005
5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid
CID 116531255
(4S)-7-fluoro-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene
CID 137495957
5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol
CID 116531788
1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116531960
(2S)-2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]propan-1-ol
CID 139793678
4'-(chloromethyl)-6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 116532625
(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethanol
CID 10899632

Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]?
The IUPAC name of 6-fluorospiro[1,2-dihydroindene-3,2'-oxirane] (CID 116532256) is 6-fluorospiro[1,2-dihydroindene-3,2'-oxirane].
What is the SMILES notation for 6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]?
The canonical SMILES for 6-fluorospiro[1,2-dihydroindene-3,2'-oxirane] is Fc1ccc2c(c1)CCC21CO1.
What is the InChIKey of 6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]?
The InChIKey is QYZCCXOPKRDKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO/c11-8-1-2-9-7(5-8)3-4-10(9)6-12-10/h1-2,5H,3-4,6H2.
What are the key properties of 6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]?
6-fluorospiro[1,2-dihydroindene-3,2'-oxirane] has a molecular weight of 164.18 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[1,2-dihydroindene-3,2'-oxirane] is sourced from PubChem (CID 116532256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).