2-(difluoromethoxy)-1-[(4R)-4-methylazepan-1-yl]ethanone

C10H17F2NO2 — CID 129348405

IUPAC2-(difluoromethoxy)-1-[(4R)-4-methylazepan-1-yl]ethanone
SMILESC[C@@H]1CCCN(C(=O)COC(F)F)CC1
InChIInChI=1S/C10H17F2NO2/c1-8-3-2-5-13(6-4-8)9(14)7-15-10(11)12/h8,10H,2-7H2,1H3/t8-/m1/s1
InChIKeyDVCIDUAAHMJTQS-MRVPVSSYSA-N
MW221.25 g/mol
LogP1.87
Rot. Bonds3

About 2-(difluoromethoxy)-1-[(4R)-4-methylazepan-1-yl]ethanone

2-(difluoromethoxy)-1-[(4R)-4-methylazepan-1-yl]ethanone (PubChem CID 129348405) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1-[(4R)-4-methylazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-(difluoromethoxy)-1-[(4R)-4-methylazepan-1-yl]ethanone
PubChem CID129348405
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name2-(difluoromethoxy)-1-[(4R)-4-methylazepan-1-yl]ethanone
SMILESC[C@@H]1CCCN(C(=O)COC(F)F)CC1
InChIInChI=1S/C10H17F2NO2/c1-8-3-2-5-13(6-4-8)9(14)7-15-10(11)12/h8,10H,2-7H2,1H3/t8-/m1/s1
InChIKeyDVCIDUAAHMJTQS-MRVPVSSYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(difluoromethoxy)-1-[(4R)-4-methylazepan-1-yl]ethanone 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-(difluoromethoxy)-1-[(4R)-4-methylazepan-1-yl]ethanone?
The IUPAC name of 2-(difluoromethoxy)-1-[(4R)-4-methylazepan-1-yl]ethanone (CID 129348405) is 2-(difluoromethoxy)-1-[(4R)-4-methylazepan-1-yl]ethanone.
What is the SMILES notation for 2-(difluoromethoxy)-1-[(4R)-4-methylazepan-1-yl]ethanone?
The canonical SMILES for 2-(difluoromethoxy)-1-[(4R)-4-methylazepan-1-yl]ethanone is C[C@@H]1CCCN(C(=O)COC(F)F)CC1.
What is the InChIKey of 2-(difluoromethoxy)-1-[(4R)-4-methylazepan-1-yl]ethanone?
The InChIKey is DVCIDUAAHMJTQS-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-8-3-2-5-13(6-4-8)9(14)7-15-10(11)12/h8,10H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of 2-(difluoromethoxy)-1-[(4R)-4-methylazepan-1-yl]ethanone?
2-(difluoromethoxy)-1-[(4R)-4-methylazepan-1-yl]ethanone has a molecular weight of 221.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1-[(4R)-4-methylazepan-1-yl]ethanone is sourced from PubChem (CID 129348405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).