1,1,1,3,3,3-hexafluoropropan-2-yl 1-acetyl-1,8-diazaspiro[4.5]decane-8-carboxylate

C14H18F6N2O3 — CID 142538557

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl 1-acetyl-1,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(=O)N1CCCC12CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2
InChIInChI=1S/C14H18F6N2O3/c1-9(23)22-6-2-3-12(22)4-7-21(8-5-12)11(24)25-10(13(15,16)17)14(18,19)20/h10H,2-8H2,1H3
InChIKeyUDBTXJXMMIYNTC-UHFFFAOYSA-N
MW376.30 g/mol
LogP3.09
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoropropan-2-yl 1-acetyl-1,8-diazaspiro[4.5]decane-8-carboxylate

1,1,1,3,3,3-hexafluoropropan-2-yl 1-acetyl-1,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 142538557) has the molecular formula C14H18F6N2O3 and a molecular weight of 376.30 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 1-acetyl-1,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl 1-acetyl-1,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID142538557
Molecular FormulaC14H18F6N2O3
Molecular Weight376.30 g/mol
Exact Mass376.12
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 1-acetyl-1,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(=O)N1CCCC12CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2
InChIInChI=1S/C14H18F6N2O3/c1-9(23)22-6-2-3-12(22)4-7-21(8-5-12)11(24)25-10(13(15,16)17)14(18,19)20/h10H,2-8H2,1H3
InChIKeyUDBTXJXMMIYNTC-UHFFFAOYSA-N
XLogP3.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,1,1,3,3,3-hexafluoropropan-2-yl 1-acetyl-1,8-diazaspiro[4.5]decane-8-carboxylate with MolForge

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Related Compounds

ethane;1,1,1,3,3,3-hexafluoropropan-2-yl 1-[1-(2-cyclopropylpyrimidin-5-yl)cyclopropanecarbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 142538384
1,1,1-trifluoropropan-2-yl 1-(4-chlorobenzoyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 161444092
7-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylic acid
CID 151741390
1,1,1,3,3,3-hexafluoropropan-2-yl 1-[7-(aziridin-1-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 164732527
1,1,1,3,3,3-hexafluoropropan-2-yl 1-[[3-fluoro-5-(1-methylcyclopentyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 142538617
1,1,1,3,3,3-hexafluoropropan-2-yl (2S)-2-carbamoyl-6-azaspiro[2.5]octane-6-carboxylate
CID 167068826
1,1,1-trifluoropropan-2-yl 1-(4-chloro-1-methylpyrazole-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 157271213
1,1,1-trifluoropropan-2-yl 1-(1H-indole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 159270992
1,1,1,3,3,3-hexafluoropropan-2-yl 3-methylpyrrolidine-1-carboxylate
CID 123284912
1,1,1,3,3,3-hexafluoropropan-2-yl 1-[[2-(4,4-dihydroxy-3,3-dimethylbut-1-ynyl)-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 155018004
3-[3-chloro-5-[[8-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]anilino]propanoic acid
CID 134536337
1,1,1-trifluoropropan-2-yl 1-(7-chloro-1-benzothiophene-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 159827634

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 1-acetyl-1,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 1-acetyl-1,8-diazaspiro[4.5]decane-8-carboxylate (CID 142538557) is 1,1,1,3,3,3-hexafluoropropan-2-yl 1-acetyl-1,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 1-acetyl-1,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 1-acetyl-1,8-diazaspiro[4.5]decane-8-carboxylate is CC(=O)N1CCCC12CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 1-acetyl-1,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is UDBTXJXMMIYNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F6N2O3/c1-9(23)22-6-2-3-12(22)4-7-21(8-5-12)11(24)25-10(13(15,16)17)14(18,19)20/h10H,2-8H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 1-acetyl-1,8-diazaspiro[4.5]decane-8-carboxylate?
1,1,1,3,3,3-hexafluoropropan-2-yl 1-acetyl-1,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 376.30 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 1-acetyl-1,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 142538557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).