2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]morpholine

C10H13F2NO — CID 118312426

IUPAC2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]morpholine
SMILESFC1=CC=C(C2CNCCO2)[C@@H](F)C1
InChIInChI=1S/C10H13F2NO/c11-7-1-2-8(9(12)5-7)10-6-13-3-4-14-10/h1-2,9-10,13H,3-6H2/t9-,10?/m0/s1
InChIKeyZCYFXQKORAMPRD-RGURZIINSA-N
MW201.22 g/mol
LogP1.50
Rot. Bonds1

About 2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]morpholine

2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]morpholine (PubChem CID 118312426) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]morpholine.

Molecular Properties

Compound Name2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]morpholine
PubChem CID118312426
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]morpholine
SMILESFC1=CC=C(C2CNCCO2)[C@@H](F)C1
InChIInChI=1S/C10H13F2NO/c11-7-1-2-8(9(12)5-7)10-6-13-3-4-14-10/h1-2,9-10,13H,3-6H2/t9-,10?/m0/s1
InChIKeyZCYFXQKORAMPRD-RGURZIINSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]morpholine 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 2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]morpholine?
The IUPAC name of 2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]morpholine (CID 118312426) is 2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]morpholine.
What is the SMILES notation for 2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]morpholine?
The canonical SMILES for 2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]morpholine is FC1=CC=C(C2CNCCO2)[C@@H](F)C1.
What is the InChIKey of 2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]morpholine?
The InChIKey is ZCYFXQKORAMPRD-RGURZIINSA-N. The full InChI is InChI=1S/C10H13F2NO/c11-7-1-2-8(9(12)5-7)10-6-13-3-4-14-10/h1-2,9-10,13H,3-6H2/t9-,10?/m0/s1.
What are the key properties of 2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]morpholine?
2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]morpholine has a molecular weight of 201.22 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]morpholine is sourced from PubChem (CID 118312426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).