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

C23H25FO3 — CID 11222408

IUPAC(2S,7R)-18-fluoro-5-(oxan-2-yloxy)-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
SMILESFc1ccc2c(c1)[C@H]1OCC(OC3CCCCO3)C[C@@H]1c1ccccc1C2
InChIInChI=1S/C23H25FO3/c24-17-9-8-16-11-15-5-1-2-6-19(15)21-13-18(14-26-23(21)20(16)12-17)27-22-7-3-4-10-25-22/h1-2,5-6,8-9,12,18,21-23H,3-4,7,10-11,13-14H2/t18?,21-,22?,23-/m1/s1
InChIKeyVCEDRNCMDUKWBM-SSXYFDDISA-N
MW368.45 g/mol
LogP4.89
Rot. Bonds2

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

(2S,7R)-18-fluoro-5-(oxan-2-yloxy)-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene (PubChem CID 11222408) has the molecular formula C23H25FO3 and a molecular weight of 368.45 g/mol. Its IUPAC name is (2S,7R)-18-fluoro-5-(oxan-2-yloxy)-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene.

Molecular Properties

Compound Name(2S,7R)-18-fluoro-5-(oxan-2-yloxy)-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
PubChem CID11222408
Molecular FormulaC23H25FO3
Molecular Weight368.45 g/mol
Exact Mass368.18
IUPAC Name(2S,7R)-18-fluoro-5-(oxan-2-yloxy)-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
SMILESFc1ccc2c(c1)[C@H]1OCC(OC3CCCCO3)C[C@@H]1c1ccccc1C2
InChIInChI=1S/C23H25FO3/c24-17-9-8-16-11-15-5-1-2-6-19(15)21-13-18(14-26-23(21)20(16)12-17)27-22-7-3-4-10-25-22/h1-2,5-6,8-9,12,18,21-23H,3-4,7,10-11,13-14H2/t18?,21-,22?,23-/m1/s1
InChIKeyVCEDRNCMDUKWBM-SSXYFDDISA-N
XLogP4.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

(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
(2R,5S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-amine
CID 11637744
(2R,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene
CID 142248840
18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;N-methylmethanamine
CID 143335819
(2S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-one
CID 11289044
[(2S,4S,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methanol
CID 101166384
[(2S,4S,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methanol
CID 10125435
1-[(2S,4R,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]-N-methylmethanamine
CID 10308388
2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)oxane
CID 11085661
[(2S,4R,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-4-yl]methanol
CID 59465324
1-[[(2S,4R,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]-4-methylpiperidine
CID 59799501
1-[(17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methyl]piperidin-4-ol
CID 68533688

Frequently Asked Questions

What is the IUPAC name of (2S,7R)-18-fluoro-5-(oxan-2-yloxy)-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene?
The IUPAC name of (2S,7R)-18-fluoro-5-(oxan-2-yloxy)-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene (CID 11222408) is (2S,7R)-18-fluoro-5-(oxan-2-yloxy)-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene.
What is the SMILES notation for (2S,7R)-18-fluoro-5-(oxan-2-yloxy)-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene?
The canonical SMILES for (2S,7R)-18-fluoro-5-(oxan-2-yloxy)-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene is Fc1ccc2c(c1)[C@H]1OCC(OC3CCCCO3)C[C@@H]1c1ccccc1C2.
What is the InChIKey of (2S,7R)-18-fluoro-5-(oxan-2-yloxy)-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene?
The InChIKey is VCEDRNCMDUKWBM-SSXYFDDISA-N. The full InChI is InChI=1S/C23H25FO3/c24-17-9-8-16-11-15-5-1-2-6-19(15)21-13-18(14-26-23(21)20(16)12-17)27-22-7-3-4-10-25-22/h1-2,5-6,8-9,12,18,21-23H,3-4,7,10-11,13-14H2/t18?,21-,22?,23-/m1/s1.
What are the key properties of (2S,7R)-18-fluoro-5-(oxan-2-yloxy)-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene?
(2S,7R)-18-fluoro-5-(oxan-2-yloxy)-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene has a molecular weight of 368.45 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,7R)-18-fluoro-5-(oxan-2-yloxy)-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene is sourced from PubChem (CID 11222408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).