2,2-difluoro-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)propan-1-ol

C8H15F2N3O — CID 164661301

IUPAC2,2-difluoro-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)propan-1-ol
SMILESOCC(F)(F)CNC1=NCCCCN1
InChIInChI=1S/C8H15F2N3O/c9-8(10,6-14)5-13-7-11-3-1-2-4-12-7/h14H,1-6H2,(H2,11,12,13)
InChIKeyXAXFLZCFYLAPBC-UHFFFAOYSA-N
MW207.22 g/mol
LogP-0.06
Rot. Bonds3

About 2,2-difluoro-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)propan-1-ol

2,2-difluoro-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)propan-1-ol (PubChem CID 164661301) has the molecular formula C8H15F2N3O and a molecular weight of 207.22 g/mol. Its IUPAC name is 2,2-difluoro-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)propan-1-ol
PubChem CID164661301
Molecular FormulaC8H15F2N3O
Molecular Weight207.22 g/mol
Exact Mass207.12
IUPAC Name2,2-difluoro-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)propan-1-ol
SMILESOCC(F)(F)CNC1=NCCCCN1
InChIInChI=1S/C8H15F2N3O/c9-8(10,6-14)5-13-7-11-3-1-2-4-12-7/h14H,1-6H2,(H2,11,12,13)
InChIKeyXAXFLZCFYLAPBC-UHFFFAOYSA-N
XLogP-0.06
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)propan-1-ol 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 2,2-difluoro-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)propan-1-ol (CID 164661301) is 2,2-difluoro-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)propan-1-ol is OCC(F)(F)CNC1=NCCCCN1.
What is the InChIKey of 2,2-difluoro-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)propan-1-ol?
The InChIKey is XAXFLZCFYLAPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3O/c9-8(10,6-14)5-13-7-11-3-1-2-4-12-7/h14H,1-6H2,(H2,11,12,13).
What are the key properties of 2,2-difluoro-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)propan-1-ol?
2,2-difluoro-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)propan-1-ol has a molecular weight of 207.22 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)propan-1-ol is sourced from PubChem (CID 164661301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).