(5R,6R)-6-fluoro-5-(2-fluorophenyl)-5-methyl-6,7-dihydro-2H-1,4-oxazepin-3-amine

C12H14F2N2O — CID 58563136

IUPAC(5R,6R)-6-fluoro-5-(2-fluorophenyl)-5-methyl-6,7-dihydro-2H-1,4-oxazepin-3-amine
SMILESC[C@]1(c2ccccc2F)N=C(N)COC[C@@H]1F
InChIInChI=1S/C12H14F2N2O/c1-12(8-4-2-3-5-9(8)13)10(14)6-17-7-11(15)16-12/h2-5,10H,6-7H2,1H3,(H2,15,16)/t10-,12+/m0/s1
InChIKeyRDJYCINWWIWYRZ-CMPLNLGQSA-N
MW240.25 g/mol
LogP1.77
Rot. Bonds1

About (5R,6R)-6-fluoro-5-(2-fluorophenyl)-5-methyl-6,7-dihydro-2H-1,4-oxazepin-3-amine

(5R,6R)-6-fluoro-5-(2-fluorophenyl)-5-methyl-6,7-dihydro-2H-1,4-oxazepin-3-amine (PubChem CID 58563136) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is (5R,6R)-6-fluoro-5-(2-fluorophenyl)-5-methyl-6,7-dihydro-2H-1,4-oxazepin-3-amine.

Molecular Properties

Compound Name(5R,6R)-6-fluoro-5-(2-fluorophenyl)-5-methyl-6,7-dihydro-2H-1,4-oxazepin-3-amine
PubChem CID58563136
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name(5R,6R)-6-fluoro-5-(2-fluorophenyl)-5-methyl-6,7-dihydro-2H-1,4-oxazepin-3-amine
SMILESC[C@]1(c2ccccc2F)N=C(N)COC[C@@H]1F
InChIInChI=1S/C12H14F2N2O/c1-12(8-4-2-3-5-9(8)13)10(14)6-17-7-11(15)16-12/h2-5,10H,6-7H2,1H3,(H2,15,16)/t10-,12+/m0/s1
InChIKeyRDJYCINWWIWYRZ-CMPLNLGQSA-N
XLogP1.77
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R,6R)-6-fluoro-5-(2-fluorophenyl)-5-methyl-6,7-dihydro-2H-1,4-oxazepin-3-amine with MolForge

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Related Compounds

4-methyl-4-(2,3,6-trifluorophenyl)-5H-1,3-oxazol-2-amine
CID 59323675
4-methyl-4-(2,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine
CID 59323677
4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine
CID 59323688
(4S)-4-(2,5-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 59323712
(4R)-4-(2-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 59323732
(4S)-4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine
CID 59323769
(4S)-4-(2,4-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 59323870
5-Methyl-5-phenyl-2,6-dihydro-1,4-oxazin-3-amine
CID 115018218
(4S)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine
CID 144615664
(2R,5R)-5-(2-Fluorophenyl)-2,5-dimethyl-2-(trifluoromethyl)-5,6-dihydro-2H-1,4-oxazin-3-amine
CID 66665656
(4R,5R,6R)-5-fluoro-6-[(1R)-1-fluoroethyl]-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine
CID 118441038
(R)-5-(5-Bromo-2-fluoro-phenyl)-5-methyl-5,6-dihydro-2H-[1,4]oxazin-3-ylamine
CID 58155238

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-fluoro-5-(2-fluorophenyl)-5-methyl-6,7-dihydro-2H-1,4-oxazepin-3-amine?
The IUPAC name of (5R,6R)-6-fluoro-5-(2-fluorophenyl)-5-methyl-6,7-dihydro-2H-1,4-oxazepin-3-amine (CID 58563136) is (5R,6R)-6-fluoro-5-(2-fluorophenyl)-5-methyl-6,7-dihydro-2H-1,4-oxazepin-3-amine.
What is the SMILES notation for (5R,6R)-6-fluoro-5-(2-fluorophenyl)-5-methyl-6,7-dihydro-2H-1,4-oxazepin-3-amine?
The canonical SMILES for (5R,6R)-6-fluoro-5-(2-fluorophenyl)-5-methyl-6,7-dihydro-2H-1,4-oxazepin-3-amine is C[C@]1(c2ccccc2F)N=C(N)COC[C@@H]1F.
What is the InChIKey of (5R,6R)-6-fluoro-5-(2-fluorophenyl)-5-methyl-6,7-dihydro-2H-1,4-oxazepin-3-amine?
The InChIKey is RDJYCINWWIWYRZ-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-12(8-4-2-3-5-9(8)13)10(14)6-17-7-11(15)16-12/h2-5,10H,6-7H2,1H3,(H2,15,16)/t10-,12+/m0/s1.
What are the key properties of (5R,6R)-6-fluoro-5-(2-fluorophenyl)-5-methyl-6,7-dihydro-2H-1,4-oxazepin-3-amine?
(5R,6R)-6-fluoro-5-(2-fluorophenyl)-5-methyl-6,7-dihydro-2H-1,4-oxazepin-3-amine has a molecular weight of 240.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-fluoro-5-(2-fluorophenyl)-5-methyl-6,7-dihydro-2H-1,4-oxazepin-3-amine is sourced from PubChem (CID 58563136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).