methyl 7-benzyl-2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylate

C15H17F2NO3 — CID 168867937

IUPACmethyl 7-benzyl-2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylate
SMILESCOC(=O)C1COC2(CN1Cc1ccccc1)CC2(F)F
InChIInChI=1S/C15H17F2NO3/c1-20-13(19)12-8-21-14(9-15(14,16)17)10-18(12)7-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyMHEIDHUOBJQZFG-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.84
Rot. Bonds3

About methyl 7-benzyl-2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylate

methyl 7-benzyl-2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylate (PubChem CID 168867937) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is methyl 7-benzyl-2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-benzyl-2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylate
PubChem CID168867937
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Namemethyl 7-benzyl-2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylate
SMILESCOC(=O)C1COC2(CN1Cc1ccccc1)CC2(F)F
InChIInChI=1S/C15H17F2NO3/c1-20-13(19)12-8-21-14(9-15(14,16)17)10-18(12)7-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyMHEIDHUOBJQZFG-UHFFFAOYSA-N
XLogP1.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 7-benzyl-2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

benzyl (3S)-4-benzyl-6,6-dimethylmorpholine-3-carboxylate
CID 59337560
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
benzyl (3S)-4-benzyl-6-(iodomethyl)-6-methylmorpholine-3-carboxylate
CID 59337549
dimethyl (2S,4R)-1-benzylazetidine-2,4-dicarboxylate
CID 14654381
methyl (2S,4S)-4-acetyl-1-benzylpyrrolidine-2-carboxylate
CID 129390617
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
(2R,4S)-1-benzyl-4-methoxycarbonylazetidine-2-carboxylic acid
CID 69447000
methyl 1-benzylpiperazine-2-carboxylate
CID 22721935
(2R,4R)-1-benzyl-4-methoxycarbonylazetidine-2-carboxylate
CID 71445283
methyl 1-benzyl-5-bromo-3,6-dihydro-2H-pyridine-2-carboxylate
CID 175451667

Frequently Asked Questions

What is the IUPAC name of methyl 7-benzyl-2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylate?
The IUPAC name of methyl 7-benzyl-2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylate (CID 168867937) is methyl 7-benzyl-2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylate.
What is the SMILES notation for methyl 7-benzyl-2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylate?
The canonical SMILES for methyl 7-benzyl-2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylate is COC(=O)C1COC2(CN1Cc1ccccc1)CC2(F)F.
What is the InChIKey of methyl 7-benzyl-2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylate?
The InChIKey is MHEIDHUOBJQZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-20-13(19)12-8-21-14(9-15(14,16)17)10-18(12)7-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3.
What are the key properties of methyl 7-benzyl-2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylate?
methyl 7-benzyl-2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylate has a molecular weight of 297.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-benzyl-2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 168867937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).