(8'R,10'R)-8',10'-difluoro-3',15'-dimethylspiro[dioxirane-3,9'-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene]

C17H14F2O2 — CID 101463871

IUPAC(8'R,10'R)-8',10'-difluoro-3',15'-dimethylspiro[dioxirane-3,9'-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene]
SMILESCc1cccc2c1-c1c(C)cccc1[C@@H](F)C1(OO1)[C@@H]2F
InChIInChI=1S/C17H14F2O2/c1-9-5-3-7-11-13(9)14-10(2)6-4-8-12(14)16(19)17(15(11)18)20-21-17/h3-8,15-16H,1-2H3/t15-,16-/m1/s1
InChIKeyABVABGGUKRGRNI-HZPDHXFCSA-N
MW288.29 g/mol
LogP4.66
Rot. Bonds

About (8'R,10'R)-8',10'-difluoro-3',15'-dimethylspiro[dioxirane-3,9'-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene]

(8'R,10'R)-8',10'-difluoro-3',15'-dimethylspiro[dioxirane-3,9'-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene] (PubChem CID 101463871) has the molecular formula C17H14F2O2 and a molecular weight of 288.29 g/mol. Its IUPAC name is (8'R,10'R)-8',10'-difluoro-3',15'-dimethylspiro[dioxirane-3,9'-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene].

Molecular Properties

Compound Name(8'R,10'R)-8',10'-difluoro-3',15'-dimethylspiro[dioxirane-3,9'-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene]
PubChem CID101463871
Molecular FormulaC17H14F2O2
Molecular Weight288.29 g/mol
Exact Mass288.10
IUPAC Name(8'R,10'R)-8',10'-difluoro-3',15'-dimethylspiro[dioxirane-3,9'-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene]
SMILESCc1cccc2c1-c1c(C)cccc1[C@@H](F)C1(OO1)[C@@H]2F
InChIInChI=1S/C17H14F2O2/c1-9-5-3-7-11-13(9)14-10(2)6-4-8-12(14)16(19)17(15(11)18)20-21-17/h3-8,15-16H,1-2H3/t15-,16-/m1/s1
InChIKeyABVABGGUKRGRNI-HZPDHXFCSA-N
XLogP4.66
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (8'R,10'R)-8',10'-difluoro-3',15'-dimethylspiro[dioxirane-3,9'-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene] with MolForge

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Related Compounds

(8R,10R)-8,10-difluoro-3,15-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-one
CID 10978594
4,5,9-trimethyl-9H-fluorene
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4-fluoro-5-methyl-9H-fluoren-9-ol
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CID 98162900
2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid
CID 82578908
15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
CID 15668870
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CID 138533359
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CID 159605245
ethane;1,2,3-trimethylbenzene
CID 54068667
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CID 10198261

Frequently Asked Questions

What is the IUPAC name of (8'R,10'R)-8',10'-difluoro-3',15'-dimethylspiro[dioxirane-3,9'-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene]?
The IUPAC name of (8'R,10'R)-8',10'-difluoro-3',15'-dimethylspiro[dioxirane-3,9'-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene] (CID 101463871) is (8'R,10'R)-8',10'-difluoro-3',15'-dimethylspiro[dioxirane-3,9'-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene].
What is the SMILES notation for (8'R,10'R)-8',10'-difluoro-3',15'-dimethylspiro[dioxirane-3,9'-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene]?
The canonical SMILES for (8'R,10'R)-8',10'-difluoro-3',15'-dimethylspiro[dioxirane-3,9'-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene] is Cc1cccc2c1-c1c(C)cccc1[C@@H](F)C1(OO1)[C@@H]2F.
What is the InChIKey of (8'R,10'R)-8',10'-difluoro-3',15'-dimethylspiro[dioxirane-3,9'-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene]?
The InChIKey is ABVABGGUKRGRNI-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H14F2O2/c1-9-5-3-7-11-13(9)14-10(2)6-4-8-12(14)16(19)17(15(11)18)20-21-17/h3-8,15-16H,1-2H3/t15-,16-/m1/s1.
What are the key properties of (8'R,10'R)-8',10'-difluoro-3',15'-dimethylspiro[dioxirane-3,9'-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene]?
(8'R,10'R)-8',10'-difluoro-3',15'-dimethylspiro[dioxirane-3,9'-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene] has a molecular weight of 288.29 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8'R,10'R)-8',10'-difluoro-3',15'-dimethylspiro[dioxirane-3,9'-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene] is sourced from PubChem (CID 101463871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).