10-fluoro-7-[(4-fluorophenyl)methoxy]-8-methyl-1,2,3,4,5,6-hexahydro-3-benzazocine

C19H21F2NO — CID 143097570

IUPAC10-fluoro-7-[(4-fluorophenyl)methoxy]-8-methyl-1,2,3,4,5,6-hexahydro-3-benzazocine
SMILESCc1cc(F)c2c(c1OCc1ccc(F)cc1)CCCNCC2
InChIInChI=1S/C19H21F2NO/c1-13-11-18(21)16-8-10-22-9-2-3-17(16)19(13)23-12-14-4-6-15(20)7-5-14/h4-7,11,22H,2-3,8-10,12H2,1H3
InChIKeyCQGFPBCSLBGFLX-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.93
Rot. Bonds3

About 10-fluoro-7-[(4-fluorophenyl)methoxy]-8-methyl-1,2,3,4,5,6-hexahydro-3-benzazocine

10-fluoro-7-[(4-fluorophenyl)methoxy]-8-methyl-1,2,3,4,5,6-hexahydro-3-benzazocine (PubChem CID 143097570) has the molecular formula C19H21F2NO and a molecular weight of 317.38 g/mol. Its IUPAC name is 10-fluoro-7-[(4-fluorophenyl)methoxy]-8-methyl-1,2,3,4,5,6-hexahydro-3-benzazocine.

Molecular Properties

Compound Name10-fluoro-7-[(4-fluorophenyl)methoxy]-8-methyl-1,2,3,4,5,6-hexahydro-3-benzazocine
PubChem CID143097570
Molecular FormulaC19H21F2NO
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name10-fluoro-7-[(4-fluorophenyl)methoxy]-8-methyl-1,2,3,4,5,6-hexahydro-3-benzazocine
SMILESCc1cc(F)c2c(c1OCc1ccc(F)cc1)CCCNCC2
InChIInChI=1S/C19H21F2NO/c1-13-11-18(21)16-8-10-22-9-2-3-17(16)19(13)23-12-14-4-6-15(20)7-5-14/h4-7,11,22H,2-3,8-10,12H2,1H3
InChIKeyCQGFPBCSLBGFLX-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-7-[(4-fluorophenyl)methoxy]-8-methyl-1,2,3,4,5,6-hexahydro-3-benzazocine?
The IUPAC name of 10-fluoro-7-[(4-fluorophenyl)methoxy]-8-methyl-1,2,3,4,5,6-hexahydro-3-benzazocine (CID 143097570) is 10-fluoro-7-[(4-fluorophenyl)methoxy]-8-methyl-1,2,3,4,5,6-hexahydro-3-benzazocine.
What is the SMILES notation for 10-fluoro-7-[(4-fluorophenyl)methoxy]-8-methyl-1,2,3,4,5,6-hexahydro-3-benzazocine?
The canonical SMILES for 10-fluoro-7-[(4-fluorophenyl)methoxy]-8-methyl-1,2,3,4,5,6-hexahydro-3-benzazocine is Cc1cc(F)c2c(c1OCc1ccc(F)cc1)CCCNCC2.
What is the InChIKey of 10-fluoro-7-[(4-fluorophenyl)methoxy]-8-methyl-1,2,3,4,5,6-hexahydro-3-benzazocine?
The InChIKey is CQGFPBCSLBGFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO/c1-13-11-18(21)16-8-10-22-9-2-3-17(16)19(13)23-12-14-4-6-15(20)7-5-14/h4-7,11,22H,2-3,8-10,12H2,1H3.
What are the key properties of 10-fluoro-7-[(4-fluorophenyl)methoxy]-8-methyl-1,2,3,4,5,6-hexahydro-3-benzazocine?
10-fluoro-7-[(4-fluorophenyl)methoxy]-8-methyl-1,2,3,4,5,6-hexahydro-3-benzazocine has a molecular weight of 317.38 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-7-[(4-fluorophenyl)methoxy]-8-methyl-1,2,3,4,5,6-hexahydro-3-benzazocine is sourced from PubChem (CID 143097570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).