(2S)-2-(1,1-difluoroethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride

C10H13ClF2N2O2 — CID 169261461

IUPAC(2S)-2-(1,1-difluoroethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride
SMILESCC(F)(F)[C@@H]1CNCc2[nH]c(=O)ccc2O1.Cl
InChIInChI=1S/C10H12F2N2O2.ClH/c1-10(11,12)8-5-13-4-6-7(16-8)2-3-9(15)14-6;/h2-3,8,13H,4-5H2,1H3,(H,14,15);1H/t8-;/m0./s1
InChIKeyNLOFCLLMCUWXBD-QRPNPIFTSA-N
MW266.67 g/mol
LogP1.30
Rot. Bonds1

About (2S)-2-(1,1-difluoroethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride

(2S)-2-(1,1-difluoroethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride (PubChem CID 169261461) has the molecular formula C10H13ClF2N2O2 and a molecular weight of 266.67 g/mol. Its IUPAC name is (2S)-2-(1,1-difluoroethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(1,1-difluoroethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride
PubChem CID169261461
Molecular FormulaC10H13ClF2N2O2
Molecular Weight266.67 g/mol
Exact Mass266.06
IUPAC Name(2S)-2-(1,1-difluoroethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride
SMILESCC(F)(F)[C@@H]1CNCc2[nH]c(=O)ccc2O1.Cl
InChIInChI=1S/C10H12F2N2O2.ClH/c1-10(11,12)8-5-13-4-6-7(16-8)2-3-9(15)14-6;/h2-3,8,13H,4-5H2,1H3,(H,14,15);1H/t8-;/m0./s1
InChIKeyNLOFCLLMCUWXBD-QRPNPIFTSA-N
XLogP1.30
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.67
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(1,1-difluoroethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,1-difluoroethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride?
The IUPAC name of (2S)-2-(1,1-difluoroethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride (CID 169261461) is (2S)-2-(1,1-difluoroethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride.
What is the SMILES notation for (2S)-2-(1,1-difluoroethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride?
The canonical SMILES for (2S)-2-(1,1-difluoroethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride is CC(F)(F)[C@@H]1CNCc2[nH]c(=O)ccc2O1.Cl.
What is the InChIKey of (2S)-2-(1,1-difluoroethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride?
The InChIKey is NLOFCLLMCUWXBD-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H12F2N2O2.ClH/c1-10(11,12)8-5-13-4-6-7(16-8)2-3-9(15)14-6;/h2-3,8,13H,4-5H2,1H3,(H,14,15);1H/t8-;/m0./s1.
What are the key properties of (2S)-2-(1,1-difluoroethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride?
(2S)-2-(1,1-difluoroethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride has a molecular weight of 266.67 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,1-difluoroethyl)-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride is sourced from PubChem (CID 169261461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).