(2R,5S,7R)-18-fluoro-5-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene

C19H19FO — CID 59636100

IUPAC(2R,5S,7R)-18-fluoro-5-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
SMILESC[C@@H]1CO[C@H]2c3cc(F)ccc3Cc3ccccc3[C@H]2C1
InChIInChI=1S/C19H19FO/c1-12-8-18-16-5-3-2-4-13(16)9-14-6-7-15(20)10-17(14)19(18)21-11-12/h2-7,10,12,18-19H,8-9,11H2,1H3/t12-,18+,19-/m0/s1
InChIKeyOIMZGVBXRBWBEJ-RQUSPXKASA-N
MW282.36 g/mol
LogP4.61
Rot. Bonds

About (2R,5S,7R)-18-fluoro-5-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene

(2R,5S,7R)-18-fluoro-5-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene (PubChem CID 59636100) has the molecular formula C19H19FO and a molecular weight of 282.36 g/mol. Its IUPAC name is (2R,5S,7R)-18-fluoro-5-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene.

Molecular Properties

Compound Name(2R,5S,7R)-18-fluoro-5-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
PubChem CID59636100
Molecular FormulaC19H19FO
Molecular Weight282.36 g/mol
Exact Mass282.14
IUPAC Name(2R,5S,7R)-18-fluoro-5-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
SMILESC[C@@H]1CO[C@H]2c3cc(F)ccc3Cc3ccccc3[C@H]2C1
InChIInChI=1S/C19H19FO/c1-12-8-18-16-5-3-2-4-13(16)9-14-6-7-15(20)10-17(14)19(18)21-11-12/h2-7,10,12,18-19H,8-9,11H2,1H3/t12-,18+,19-/m0/s1
InChIKeyOIMZGVBXRBWBEJ-RQUSPXKASA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,5S,7R)-18-fluoro-5-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene?
The IUPAC name of (2R,5S,7R)-18-fluoro-5-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene (CID 59636100) is (2R,5S,7R)-18-fluoro-5-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene.
What is the SMILES notation for (2R,5S,7R)-18-fluoro-5-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene?
The canonical SMILES for (2R,5S,7R)-18-fluoro-5-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene is C[C@@H]1CO[C@H]2c3cc(F)ccc3Cc3ccccc3[C@H]2C1.
What is the InChIKey of (2R,5S,7R)-18-fluoro-5-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene?
The InChIKey is OIMZGVBXRBWBEJ-RQUSPXKASA-N. The full InChI is InChI=1S/C19H19FO/c1-12-8-18-16-5-3-2-4-13(16)9-14-6-7-15(20)10-17(14)19(18)21-11-12/h2-7,10,12,18-19H,8-9,11H2,1H3/t12-,18+,19-/m0/s1.
What are the key properties of (2R,5S,7R)-18-fluoro-5-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene?
(2R,5S,7R)-18-fluoro-5-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene has a molecular weight of 282.36 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,7R)-18-fluoro-5-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene is sourced from PubChem (CID 59636100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).