2-[1-[9-[1-(oxiran-2-yl)ethyl]fluoren-9-yl]ethyl]oxirane

C21H22O2 — CID 139994136

IUPAC2-[1-[9-[1-(oxiran-2-yl)ethyl]fluoren-9-yl]ethyl]oxirane
SMILESCC(C1CO1)C1(C(C)C2CO2)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22O2/c1-13(19-11-22-19)21(14(2)20-12-23-20)17-9-5-3-7-15(17)16-8-4-6-10-18(16)21/h3-10,13-14,19-20H,11-12H2,1-2H3
InChIKeyWZEGXKPODHYIRG-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.02
Rot. Bonds4

About 2-[1-[9-[1-(oxiran-2-yl)ethyl]fluoren-9-yl]ethyl]oxirane

2-[1-[9-[1-(oxiran-2-yl)ethyl]fluoren-9-yl]ethyl]oxirane (PubChem CID 139994136) has the molecular formula C21H22O2 and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-[1-[9-[1-(oxiran-2-yl)ethyl]fluoren-9-yl]ethyl]oxirane.

Molecular Properties

Compound Name2-[1-[9-[1-(oxiran-2-yl)ethyl]fluoren-9-yl]ethyl]oxirane
PubChem CID139994136
Molecular FormulaC21H22O2
Molecular Weight306.40 g/mol
Exact Mass306.16
IUPAC Name2-[1-[9-[1-(oxiran-2-yl)ethyl]fluoren-9-yl]ethyl]oxirane
SMILESCC(C1CO1)C1(C(C)C2CO2)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22O2/c1-13(19-11-22-19)21(14(2)20-12-23-20)17-9-5-3-7-15(17)16-8-4-6-10-18(16)21/h3-10,13-14,19-20H,11-12H2,1-2H3
InChIKeyWZEGXKPODHYIRG-UHFFFAOYSA-N
XLogP4.02
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(2R)-oxiran-2-yl]ethyl]isoindole-1,3-dione
CID 102103209
(2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane
CID 10487206
2-[[9-[[4-[[9-(oxiran-2-ylmethyl)fluoren-9-yl]methyl]phenyl]methyl]fluoren-9-yl]methyl]oxirane
CID 118344155
ethane;9-fluoro-9-methylfluorene
CID 163249751
3-fluoro-3-methyl-2H-inden-1-one
CID 122380797
9-(difluoromethyl)-9-methylfluorene
CID 138967571
(3'R)-3'-methylspiro[fluorene-9,2'-oxirane]
CID 101107078
1,1,3,3-tetramethylspiro[cyclobutane-2,9'-fluorene]
CID 153467797
2-iodo-9,9-di(propan-2-yl)fluorene
CID 23072844
(1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine
CID 11173187
9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene
CID 86051025
methane;9-methylfluoren-9-ol
CID 160708378

Frequently Asked Questions

What is the IUPAC name of 2-[1-[9-[1-(oxiran-2-yl)ethyl]fluoren-9-yl]ethyl]oxirane?
The IUPAC name of 2-[1-[9-[1-(oxiran-2-yl)ethyl]fluoren-9-yl]ethyl]oxirane (CID 139994136) is 2-[1-[9-[1-(oxiran-2-yl)ethyl]fluoren-9-yl]ethyl]oxirane.
What is the SMILES notation for 2-[1-[9-[1-(oxiran-2-yl)ethyl]fluoren-9-yl]ethyl]oxirane?
The canonical SMILES for 2-[1-[9-[1-(oxiran-2-yl)ethyl]fluoren-9-yl]ethyl]oxirane is CC(C1CO1)C1(C(C)C2CO2)c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[1-[9-[1-(oxiran-2-yl)ethyl]fluoren-9-yl]ethyl]oxirane?
The InChIKey is WZEGXKPODHYIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O2/c1-13(19-11-22-19)21(14(2)20-12-23-20)17-9-5-3-7-15(17)16-8-4-6-10-18(16)21/h3-10,13-14,19-20H,11-12H2,1-2H3.
What are the key properties of 2-[1-[9-[1-(oxiran-2-yl)ethyl]fluoren-9-yl]ethyl]oxirane?
2-[1-[9-[1-(oxiran-2-yl)ethyl]fluoren-9-yl]ethyl]oxirane has a molecular weight of 306.40 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[9-[1-(oxiran-2-yl)ethyl]fluoren-9-yl]ethyl]oxirane is sourced from PubChem (CID 139994136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).