(2S,5S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine

C18H20FNO — CID 70851423

IUPAC(2S,5S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine
SMILESN[C@@H]1CO[C@H]2C3C=C(F)C=CC3Cc3ccccc3[C@H]2C1
InChIInChI=1S/C18H20FNO/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/h1-6,8,12,14,16-18H,7,9-10,20H2/t12?,14-,16?,17+,18-/m0/s1
InChIKeyOKAKKBDEWLCCDZ-XOJFGSIASA-N
MW285.36 g/mol
LogP3.10
Rot. Bonds

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

(2S,5S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine (PubChem CID 70851423) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is (2S,5S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine.

Molecular Properties

Compound Name(2S,5S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine
PubChem CID70851423
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name(2S,5S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine
SMILESN[C@@H]1CO[C@H]2C3C=C(F)C=CC3Cc3ccccc3[C@H]2C1
InChIInChI=1S/C18H20FNO/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/h1-6,8,12,14,16-18H,7,9-10,20H2/t12?,14-,16?,17+,18-/m0/s1
InChIKeyOKAKKBDEWLCCDZ-XOJFGSIASA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine?
The IUPAC name of (2S,5S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine (CID 70851423) is (2S,5S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine.
What is the SMILES notation for (2S,5S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine?
The canonical SMILES for (2S,5S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine is N[C@@H]1CO[C@H]2C3C=C(F)C=CC3Cc3ccccc3[C@H]2C1.
What is the InChIKey of (2S,5S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine?
The InChIKey is OKAKKBDEWLCCDZ-XOJFGSIASA-N. The full InChI is InChI=1S/C18H20FNO/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/h1-6,8,12,14,16-18H,7,9-10,20H2/t12?,14-,16?,17+,18-/m0/s1.
What are the key properties of (2S,5S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine?
(2S,5S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine has a molecular weight of 285.36 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine is sourced from PubChem (CID 70851423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).