18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;N-methylmethanamine

C20H24FNO — CID 143335819

IUPAC18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;N-methylmethanamine
SMILESCNC.Fc1ccc2c(c1)C1OCCCC1c1ccccc1C2
InChIInChI=1S/C18H17FO.C2H7N/c19-14-8-7-13-10-12-4-1-2-5-15(12)16-6-3-9-20-18(16)17(13)11-14;1-3-2/h1-2,4-5,7-8,11,16,18H,3,6,9-10H2;3H,1-2H3
InChIKeyKMOXNGAYEVURTN-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.20
Rot. Bonds

About 18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;N-methylmethanamine

18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;N-methylmethanamine (PubChem CID 143335819) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is 18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;N-methylmethanamine.

Molecular Properties

Compound Name18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;N-methylmethanamine
PubChem CID143335819
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC Name18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;N-methylmethanamine
SMILESCNC.Fc1ccc2c(c1)C1OCCCC1c1ccccc1C2
InChIInChI=1S/C18H17FO.C2H7N/c19-14-8-7-13-10-12-4-1-2-5-15(12)16-6-3-9-20-18(16)17(13)11-14;1-3-2/h1-2,4-5,7-8,11,16,18H,3,6,9-10H2;3H,1-2H3
InChIKeyKMOXNGAYEVURTN-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene
CID 142248840
(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
(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
(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
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
[(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,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-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine
CID 79365802
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
2-(2,5-difluorophenyl)oxan-3-amine
CID 79365961

Frequently Asked Questions

What is the IUPAC name of 18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;N-methylmethanamine?
The IUPAC name of 18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;N-methylmethanamine (CID 143335819) is 18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;N-methylmethanamine.
What is the SMILES notation for 18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;N-methylmethanamine?
The canonical SMILES for 18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;N-methylmethanamine is CNC.Fc1ccc2c(c1)C1OCCCC1c1ccccc1C2.
What is the InChIKey of 18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;N-methylmethanamine?
The InChIKey is KMOXNGAYEVURTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO.C2H7N/c19-14-8-7-13-10-12-4-1-2-5-15(12)16-6-3-9-20-18(16)17(13)11-14;1-3-2/h1-2,4-5,7-8,11,16,18H,3,6,9-10H2;3H,1-2H3.
What are the key properties of 18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;N-methylmethanamine?
18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;N-methylmethanamine has a molecular weight of 313.42 g/mol, XLogP of 4.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;N-methylmethanamine is sourced from PubChem (CID 143335819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).