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

C15H21FN2O — CID 58494893

IUPAC4-[(2R)-2-fluoropropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESC[C@@H](F)CN1CCOc2cc3c(cc21)CCNCC3
InChIInChI=1S/C15H21FN2O/c1-11(16)10-18-6-7-19-15-9-13-3-5-17-4-2-12(13)8-14(15)18/h8-9,11,17H,2-7,10H2,1H3/t11-/m1/s1
InChIKeyJMMSBQNDDMQAOV-LLVKDONJSA-N
MW264.34 g/mol
LogP1.93
Rot. Bonds2

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

4-[(2R)-2-fluoropropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (PubChem CID 58494893) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-[(2R)-2-fluoropropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.

Molecular Properties

Compound Name4-[(2R)-2-fluoropropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
PubChem CID58494893
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name4-[(2R)-2-fluoropropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESC[C@@H](F)CN1CCOc2cc3c(cc21)CCNCC3
InChIInChI=1S/C15H21FN2O/c1-11(16)10-18-6-7-19-15-9-13-3-5-17-4-2-12(13)8-14(15)18/h8-9,11,17H,2-7,10H2,1H3/t11-/m1/s1
InChIKeyJMMSBQNDDMQAOV-LLVKDONJSA-N
XLogP1.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-[(2R)-2-fluoropropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The IUPAC name of 4-[(2R)-2-fluoropropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (CID 58494893) is 4-[(2R)-2-fluoropropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.
What is the SMILES notation for 4-[(2R)-2-fluoropropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The canonical SMILES for 4-[(2R)-2-fluoropropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is C[C@@H](F)CN1CCOc2cc3c(cc21)CCNCC3.
What is the InChIKey of 4-[(2R)-2-fluoropropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The InChIKey is JMMSBQNDDMQAOV-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(16)10-18-6-7-19-15-9-13-3-5-17-4-2-12(13)8-14(15)18/h8-9,11,17H,2-7,10H2,1H3/t11-/m1/s1.
What are the key properties of 4-[(2R)-2-fluoropropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
4-[(2R)-2-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, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-fluoropropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is sourced from PubChem (CID 58494893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).