(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

C18H18FNO — CID 11637744

IUPAC(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
SMILESN[C@@H]1CO[C@H]2c3cc(F)ccc3Cc3ccccc3[C@H]2C1
InChIInChI=1S/C18H18FNO/c19-13-6-5-12-7-11-3-1-2-4-15(11)17-9-14(20)10-21-18(17)16(12)8-13/h1-6,8,14,17-18H,7,9-10,20H2/t14-,17+,18-/m0/s1
InChIKeyFVKXVFGULLKXSO-QGTPRVQTSA-N
MW283.35 g/mol
LogP3.30
Rot. Bonds

About (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

(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 (PubChem CID 11637744) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID11637744
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(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
SMILESN[C@@H]1CO[C@H]2c3cc(F)ccc3Cc3ccccc3[C@H]2C1
InChIInChI=1S/C18H18FNO/c19-13-6-5-12-7-11-3-1-2-4-15(11)17-9-14(20)10-21-18(17)16(12)8-13/h1-6,8,14,17-18H,7,9-10,20H2/t14-,17+,18-/m0/s1
InChIKeyFVKXVFGULLKXSO-QGTPRVQTSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is N[C@@H]1CO[C@H]2c3cc(F)ccc3Cc3ccccc3[C@H]2C1.
What is the InChIKey of (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?
The InChIKey is FVKXVFGULLKXSO-QGTPRVQTSA-N. The full InChI is InChI=1S/C18H18FNO/c19-13-6-5-12-7-11-3-1-2-4-15(11)17-9-14(20)10-21-18(17)16(12)8-13/h1-6,8,14,17-18H,7,9-10,20H2/t14-,17+,18-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 283.35 g/mol, XLogP of 3.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 11637744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).