(8R,10R)-8,10-difluoro-3,15-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-one

C17H14F2O — CID 10978594

IUPAC(8R,10R)-8,10-difluoro-3,15-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-one
SMILESCc1cccc2c1-c1c(C)cccc1[C@@H](F)C(=O)[C@@H]2F
InChIInChI=1S/C17H14F2O/c1-9-5-3-7-11-13(9)14-10(2)6-4-8-12(14)16(19)17(20)15(11)18/h3-8,15-16H,1-2H3/t15-,16-/m1/s1
InChIKeyMGUMXAWXGRLEAG-HZPDHXFCSA-N
MW272.29 g/mol
LogP4.57
Rot. Bonds

About (8R,10R)-8,10-difluoro-3,15-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-one

(8R,10R)-8,10-difluoro-3,15-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-one (PubChem CID 10978594) has the molecular formula C17H14F2O and a molecular weight of 272.29 g/mol. Its IUPAC name is (8R,10R)-8,10-difluoro-3,15-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-one.

Molecular Properties

Compound Name(8R,10R)-8,10-difluoro-3,15-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-one
PubChem CID10978594
Molecular FormulaC17H14F2O
Molecular Weight272.29 g/mol
Exact Mass272.10
IUPAC Name(8R,10R)-8,10-difluoro-3,15-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-one
SMILESCc1cccc2c1-c1c(C)cccc1[C@@H](F)C(=O)[C@@H]2F
InChIInChI=1S/C17H14F2O/c1-9-5-3-7-11-13(9)14-10(2)6-4-8-12(14)16(19)17(20)15(11)18/h3-8,15-16H,1-2H3/t15-,16-/m1/s1
InChIKeyMGUMXAWXGRLEAG-HZPDHXFCSA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (8R,10R)-8,10-difluoro-3,15-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (8R,10R)-8,10-difluoro-3,15-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-one?
The IUPAC name of (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) is (8R,10R)-8,10-difluoro-3,15-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-one.
What is the SMILES notation for (8R,10R)-8,10-difluoro-3,15-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-one?
The canonical SMILES for (8R,10R)-8,10-difluoro-3,15-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-one is Cc1cccc2c1-c1c(C)cccc1[C@@H](F)C(=O)[C@@H]2F.
What is the InChIKey of (8R,10R)-8,10-difluoro-3,15-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-one?
The InChIKey is MGUMXAWXGRLEAG-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H14F2O/c1-9-5-3-7-11-13(9)14-10(2)6-4-8-12(14)16(19)17(20)15(11)18/h3-8,15-16H,1-2H3/t15-,16-/m1/s1.
What are the key properties of (8R,10R)-8,10-difluoro-3,15-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-one?
(8R,10R)-8,10-difluoro-3,15-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-one has a molecular weight of 272.29 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,10R)-8,10-difluoro-3,15-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-one is sourced from PubChem (CID 10978594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).