(2R,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene

C17H15FO — CID 142248840

IUPAC(2R,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene
SMILESFc1ccc2c(c1)[C@@H]1OCC[C@H]1c1ccccc1C2
InChIInChI=1S/C17H15FO/c18-13-6-5-12-9-11-3-1-2-4-14(11)15-7-8-19-17(15)16(12)10-13/h1-6,10,15,17H,7-9H2/t15-,17+/m0/s1
InChIKeySSBZERLNCHFUAY-DOTOQJQBSA-N
MW254.30 g/mol
LogP3.98
Rot. Bonds

About (2R,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene

(2R,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene (PubChem CID 142248840) has the molecular formula C17H15FO and a molecular weight of 254.30 g/mol. Its IUPAC name is (2R,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene.

Molecular Properties

Compound Name(2R,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene
PubChem CID142248840
Molecular FormulaC17H15FO
Molecular Weight254.30 g/mol
Exact Mass254.11
IUPAC Name(2R,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene
SMILESFc1ccc2c(c1)[C@@H]1OCC[C@H]1c1ccccc1C2
InChIInChI=1S/C17H15FO/c18-13-6-5-12-9-11-3-1-2-4-14(11)15-7-8-19-17(15)16(12)10-13/h1-6,10,15,17H,7-9H2/t15-,17+/m0/s1
InChIKeySSBZERLNCHFUAY-DOTOQJQBSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene with MolForge

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Related Compounds

18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;N-methylmethanamine
CID 143335819
(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
(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,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
(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
[(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
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
2-[4-[[(2R,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]piperazin-1-yl]ethanol
CID 59827069

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene?
The IUPAC name of (2R,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene (CID 142248840) is (2R,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene.
What is the SMILES notation for (2R,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene?
The canonical SMILES for (2R,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene is Fc1ccc2c(c1)[C@@H]1OCC[C@H]1c1ccccc1C2.
What is the InChIKey of (2R,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene?
The InChIKey is SSBZERLNCHFUAY-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H15FO/c18-13-6-5-12-9-11-3-1-2-4-14(11)15-7-8-19-17(15)16(12)10-13/h1-6,10,15,17H,7-9H2/t15-,17+/m0/s1.
What are the key properties of (2R,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene?
(2R,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene has a molecular weight of 254.30 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene is sourced from PubChem (CID 142248840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).