2,2-difluoroethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate

C15H25F2NO3 — CID 142510432

IUPAC2,2-difluoroethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)C1CCC2(CCN(C(=O)OCC(F)F)CC2)C1O
InChIInChI=1S/C15H25F2NO3/c1-10(2)11-3-4-15(13(11)19)5-7-18(8-6-15)14(20)21-9-12(16)17/h10-13,19H,3-9H2,1-2H3
InChIKeyUMTMUUVGXREMIU-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.90
Rot. Bonds3

About 2,2-difluoroethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate

2,2-difluoroethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 142510432) has the molecular formula C15H25F2NO3 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2,2-difluoroethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Name2,2-difluoroethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID142510432
Molecular FormulaC15H25F2NO3
Molecular Weight305.37 g/mol
Exact Mass305.18
IUPAC Name2,2-difluoroethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)C1CCC2(CCN(C(=O)OCC(F)F)CC2)C1O
InChIInChI=1S/C15H25F2NO3/c1-10(2)11-3-4-15(13(11)19)5-7-18(8-6-15)14(20)21-9-12(16)17/h10-13,19H,3-9H2,1-2H3
InChIKeyUMTMUUVGXREMIU-UHFFFAOYSA-N
XLogP2.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxyethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate
CID 137387494
(2,2-difluorocyclopropyl)-(4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decan-8-yl)methanone
CID 137386971
2,2-difluoroethyl piperidine-1-carboxylate
CID 91056424
2,2-difluoroethyl (3S,4R)-4-hydroxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decane-8-carboxylate
CID 148916551
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
8-O-tert-butyl 3-O-methyl (3S,4S)-4-hydroxy-8-azaspiro[4.5]decane-3,8-dicarboxylate
CID 97111241
2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 97449150
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate
CID 130256154
2-aminopropyl pyrrolidine-1-carboxylate
CID 175158579
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
tert-butyl 4-[(1S)-1-(3,5-difluorophenyl)ethyl]-4-fluoropiperidine-1-carboxylate
CID 163385674

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of 2,2-difluoroethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate (CID 142510432) is 2,2-difluoroethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for 2,2-difluoroethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for 2,2-difluoroethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate is CC(C)C1CCC2(CCN(C(=O)OCC(F)F)CC2)C1O.
What is the InChIKey of 2,2-difluoroethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is UMTMUUVGXREMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2NO3/c1-10(2)11-3-4-15(13(11)19)5-7-18(8-6-15)14(20)21-9-12(16)17/h10-13,19H,3-9H2,1-2H3.
What are the key properties of 2,2-difluoroethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate?
2,2-difluoroethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 142510432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).