7-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylic acid

C12H14F6N2O4 — CID 151741390

IUPAC7-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylic acid
SMILESO=C(O)N1CC2(CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)C1
InChIInChI=1S/C12H14F6N2O4/c13-11(14,15)7(12(16,17)18)24-9(23)19-3-1-10(2-4-19)5-20(6-10)8(21)22/h7H,1-6H2,(H,21,22)
InChIKeyRMPLMORGPMDMGW-UHFFFAOYSA-N
MW364.24 g/mol
LogP2.69
Rot. Bonds1

About 7-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylic acid

7-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylic acid (PubChem CID 151741390) has the molecular formula C12H14F6N2O4 and a molecular weight of 364.24 g/mol. Its IUPAC name is 7-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylic acid.

Molecular Properties

Compound Name7-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylic acid
PubChem CID151741390
Molecular FormulaC12H14F6N2O4
Molecular Weight364.24 g/mol
Exact Mass364.09
IUPAC Name7-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylic acid
SMILESO=C(O)N1CC2(CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)C1
InChIInChI=1S/C12H14F6N2O4/c13-11(14,15)7(12(16,17)18)24-9(23)19-3-1-10(2-4-19)5-20(6-10)8(21)22/h7H,1-6H2,(H,21,22)
InChIKeyRMPLMORGPMDMGW-UHFFFAOYSA-N
XLogP2.69
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylic acid with MolForge

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Related Compounds

1,1,1,3,3,3-hexafluoropropan-2-yl 2-benzyl-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 166650238
1,1,1,3,3,3-hexafluoropropan-2-yl 2-phenylmethoxy-6-azaspiro[3.4]octane-6-carboxylate
CID 138619180
2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid
CID 154311933
1,1,1,3,3,3-hexafluoropropan-2-yl (2S)-2-carbamoyl-6-azaspiro[2.5]octane-6-carboxylate
CID 167068826
1,1,1,3,3,3-hexafluoropropan-2-yl 1-acetyl-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 142538557
trifluoro-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]boranuide
CID 140741496
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
1,1,1,3,3,3-hexafluoropropan-2-yl 3-methylpyrrolidine-1-carboxylate
CID 123284912
4-[3-chloro-5-[[8-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenoxy]butanoic acid
CID 164755065
[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2-(4,4-difluorocyclohexanecarbonyl)-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 126502913
1,1,1,3,3,3-hexafluoropropan-2-yl 4-phenylsulfanylpiperazine-1-carboxylate
CID 123834989

Frequently Asked Questions

What is the IUPAC name of 7-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylic acid?
The IUPAC name of 7-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylic acid (CID 151741390) is 7-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylic acid.
What is the SMILES notation for 7-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylic acid?
The canonical SMILES for 7-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylic acid is O=C(O)N1CC2(CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)C1.
What is the InChIKey of 7-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylic acid?
The InChIKey is RMPLMORGPMDMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F6N2O4/c13-11(14,15)7(12(16,17)18)24-9(23)19-3-1-10(2-4-19)5-20(6-10)8(21)22/h7H,1-6H2,(H,21,22).
What are the key properties of 7-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylic acid?
7-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylic acid has a molecular weight of 364.24 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylic acid is sourced from PubChem (CID 151741390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).