3-[(1S)-1-[4-(difluoromethyl)phenyl]ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione

C18H21F2NO3 — CID 67995958

IUPAC3-[(1S)-1-[4-(difluoromethyl)phenyl]ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
SMILESC[C@@H](c1ccc(C(F)F)cc1)N1CCC2(CCC(=O)CC2)OC1=O
InChIInChI=1S/C18H21F2NO3/c1-12(13-2-4-14(5-3-13)16(19)20)21-11-10-18(24-17(21)23)8-6-15(22)7-9-18/h2-5,12,16H,6-11H2,1H3/t12-/m0/s1
InChIKeyCASHSHTXNDUFDN-LBPRGKRZSA-N
MW337.37 g/mol
LogP4.41
Rot. Bonds3

About 3-[(1S)-1-[4-(difluoromethyl)phenyl]ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione

3-[(1S)-1-[4-(difluoromethyl)phenyl]ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione (PubChem CID 67995958) has the molecular formula C18H21F2NO3 and a molecular weight of 337.37 g/mol. Its IUPAC name is 3-[(1S)-1-[4-(difluoromethyl)phenyl]ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione.

Molecular Properties

Compound Name3-[(1S)-1-[4-(difluoromethyl)phenyl]ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
PubChem CID67995958
Molecular FormulaC18H21F2NO3
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name3-[(1S)-1-[4-(difluoromethyl)phenyl]ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
SMILESC[C@@H](c1ccc(C(F)F)cc1)N1CCC2(CCC(=O)CC2)OC1=O
InChIInChI=1S/C18H21F2NO3/c1-12(13-2-4-14(5-3-13)16(19)20)21-11-10-18(24-17(21)23)8-6-15(22)7-9-18/h2-5,12,16H,6-11H2,1H3/t12-/m0/s1
InChIKeyCASHSHTXNDUFDN-LBPRGKRZSA-N
XLogP4.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(1S)-1-[4-(difluoromethyl)phenyl]ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione 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

3-[(S)-1-(4-Bromo-phenyl)-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 56595752
3-[(S)-1-(3,4-Difluoro-phenyl)-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 56595758
3-[(S)-1-(4-Trifluoromethyl-phenyl)-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 56595801
3-[(S)-Indan-1-yl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 56595804
3-[(1S)-1-(2-chlorophenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
CID 67995422
3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
CID 67995690
3-[(S)-1-Naphthalen-1-yl-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67995731
3-{(S)-1-[4-(1-Methyl-2-oxo-1,2-dihydro-pyridin-4-yl)-phenyl]-ethyl}-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67995838
3-[(S)-1-Naphthalen-2-yl-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67995933
3-[(S)-1-(4-tert-Butyl-phenyl)-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67995942
3-[(S)-1-Phenyl-propyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67996093
3-[(S)-1-Phenyl-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67996134

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[4-(difluoromethyl)phenyl]ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The IUPAC name of 3-[(1S)-1-[4-(difluoromethyl)phenyl]ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione (CID 67995958) is 3-[(1S)-1-[4-(difluoromethyl)phenyl]ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione.
What is the SMILES notation for 3-[(1S)-1-[4-(difluoromethyl)phenyl]ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The canonical SMILES for 3-[(1S)-1-[4-(difluoromethyl)phenyl]ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione is C[C@@H](c1ccc(C(F)F)cc1)N1CCC2(CCC(=O)CC2)OC1=O.
What is the InChIKey of 3-[(1S)-1-[4-(difluoromethyl)phenyl]ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The InChIKey is CASHSHTXNDUFDN-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21F2NO3/c1-12(13-2-4-14(5-3-13)16(19)20)21-11-10-18(24-17(21)23)8-6-15(22)7-9-18/h2-5,12,16H,6-11H2,1H3/t12-/m0/s1.
What are the key properties of 3-[(1S)-1-[4-(difluoromethyl)phenyl]ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
3-[(1S)-1-[4-(difluoromethyl)phenyl]ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione has a molecular weight of 337.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[4-(difluoromethyl)phenyl]ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione is sourced from PubChem (CID 67995958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).