(2S,10S)-6-fluoro-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one;hydrochloride

C15H17ClFNO — CID 138399912

IUPAC(2S,10S)-6-fluoro-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one;hydrochloride
SMILESCN1C2CCC1[C@H]1C(=O)c3cc(F)ccc3[C@H]1C2.Cl
InChIInChI=1S/C15H16FNO.ClH/c1-17-9-3-5-13(17)14-11(7-9)10-4-2-8(16)6-12(10)15(14)18;/h2,4,6,9,11,13-14H,3,5,7H2,1H3;1H/t9?,11-,13?,14+;/m1./s1
InChIKeyDQUWRVHVHUFUMY-QAGGGSJQSA-N
MW281.76 g/mol
LogP3.01
Rot. Bonds

About (2S,10S)-6-fluoro-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one;hydrochloride

(2S,10S)-6-fluoro-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one;hydrochloride (PubChem CID 138399912) has the molecular formula C15H17ClFNO and a molecular weight of 281.76 g/mol. Its IUPAC name is (2S,10S)-6-fluoro-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one;hydrochloride.

Molecular Properties

Compound Name(2S,10S)-6-fluoro-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one;hydrochloride
PubChem CID138399912
Molecular FormulaC15H17ClFNO
Molecular Weight281.76 g/mol
Exact Mass281.10
IUPAC Name(2S,10S)-6-fluoro-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one;hydrochloride
SMILESCN1C2CCC1[C@H]1C(=O)c3cc(F)ccc3[C@H]1C2.Cl
InChIInChI=1S/C15H16FNO.ClH/c1-17-9-3-5-13(17)14-11(7-9)10-4-2-8(16)6-12(10)15(14)18;/h2,4,6,9,11,13-14H,3,5,7H2,1H3;1H/t9?,11-,13?,14+;/m1./s1
InChIKeyDQUWRVHVHUFUMY-QAGGGSJQSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,10S)-6-fluoro-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one;hydrochloride?
The IUPAC name of (2S,10S)-6-fluoro-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one;hydrochloride (CID 138399912) is (2S,10S)-6-fluoro-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one;hydrochloride.
What is the SMILES notation for (2S,10S)-6-fluoro-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one;hydrochloride?
The canonical SMILES for (2S,10S)-6-fluoro-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one;hydrochloride is CN1C2CCC1[C@H]1C(=O)c3cc(F)ccc3[C@H]1C2.Cl.
What is the InChIKey of (2S,10S)-6-fluoro-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one;hydrochloride?
The InChIKey is DQUWRVHVHUFUMY-QAGGGSJQSA-N. The full InChI is InChI=1S/C15H16FNO.ClH/c1-17-9-3-5-13(17)14-11(7-9)10-4-2-8(16)6-12(10)15(14)18;/h2,4,6,9,11,13-14H,3,5,7H2,1H3;1H/t9?,11-,13?,14+;/m1./s1.
What are the key properties of (2S,10S)-6-fluoro-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one;hydrochloride?
(2S,10S)-6-fluoro-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one;hydrochloride has a molecular weight of 281.76 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,10S)-6-fluoro-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one;hydrochloride is sourced from PubChem (CID 138399912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).