4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine

C15H21FN2O — CID 58494789

IUPAC4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESFCCCN1CCOc2cc3c(cc21)CCNCC3
InChIInChI=1S/C15H21FN2O/c16-4-1-7-18-8-9-19-15-11-13-3-6-17-5-2-12(13)10-14(15)18/h10-11,17H,1-9H2
InChIKeySJQFKVPTNWDJHT-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.93
Rot. Bonds3

About 4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine

4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (PubChem CID 58494789) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.

Molecular Properties

Compound Name4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
PubChem CID58494789
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESFCCCN1CCOc2cc3c(cc21)CCNCC3
InChIInChI=1S/C15H21FN2O/c16-4-1-7-18-8-9-19-15-11-13-3-6-17-5-2-12(13)10-14(15)18/h10-11,17H,1-9H2
InChIKeySJQFKVPTNWDJHT-UHFFFAOYSA-N
XLogP1.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The IUPAC name of 4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (CID 58494789) is 4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.
What is the SMILES notation for 4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The canonical SMILES for 4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is FCCCN1CCOc2cc3c(cc21)CCNCC3.
What is the InChIKey of 4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The InChIKey is SJQFKVPTNWDJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c16-4-1-7-18-8-9-19-15-11-13-3-6-17-5-2-12(13)10-14(15)18/h10-11,17H,1-9H2.
What are the key properties of 4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine has a molecular weight of 264.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is sourced from PubChem (CID 58494789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).