7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

C11H17F5N2O2 — CID 126573815

IUPAC7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
SMILESFC(F)CN1CCC2(CC1)CNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16F2N2.C2HF3O2/c10-8(11)5-13-3-1-9(2-4-13)6-12-7-9;3-2(4,5)1(6)7/h8,12H,1-7H2;(H,6,7)
InChIKeyXIWPTJSSHIWJHC-UHFFFAOYSA-N
MW304.26 g/mol
LogP1.57
Rot. Bonds2

About 7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (PubChem CID 126573815) has the molecular formula C11H17F5N2O2 and a molecular weight of 304.26 g/mol. Its IUPAC name is 7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
PubChem CID126573815
Molecular FormulaC11H17F5N2O2
Molecular Weight304.26 g/mol
Exact Mass304.12
IUPAC Name7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
SMILESFC(F)CN1CCC2(CC1)CNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16F2N2.C2HF3O2/c10-8(11)5-13-3-1-9(2-4-13)6-12-7-9;3-2(4,5)1(6)7/h8,12H,1-7H2;(H,6,7)
InChIKeyXIWPTJSSHIWJHC-UHFFFAOYSA-N
XLogP1.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Azetidin-1-ylmethyl)piperidine,bis(trifluoroacetic acid)
CID 53484595
1-{2,7-Diazaspiro[3.5]nonan-7-yl}ethan-1-one; trifluoroacetic acid
CID 132353978
2-(Prop-2-yn-1-yl)-2,7-diazaspiro(3.5)nonane; bis(trifluoroacetic acid)
CID 165750275
1-[2-(Azetidin-3-yl)ethyl]piperidine-4,4-dicarbonitrile;2,2,2-trifluoroacetic acid
CID 126573280
4-[2-[1-(2,2-Difluoroethyl)azetidin-3-yl]ethyl]piperidine;2,2,2-trifluoroacetic acid
CID 126573335
7-Methyl-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 126573828
N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 146586371
3-(5,5-Difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropanoic acid
CID 146586508
5,5-Difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 159512923
(4-Fluoropiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
CID 166758806
2-Propan-2-yl-2-aza-7-azoniaspiro[3.5]nonane;2,2,2-trifluoroacetate
CID 167588307
1-Methyl-1,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 172816610

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (CID 126573815) is 7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is FC(F)CN1CCC2(CC1)CNC2.O=C(O)C(F)(F)F.
What is the InChIKey of 7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The InChIKey is XIWPTJSSHIWJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2.C2HF3O2/c10-8(11)5-13-3-1-9(2-4-13)6-12-7-9;3-2(4,5)1(6)7/h8,12H,1-7H2;(H,6,7).
What are the key properties of 7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid has a molecular weight of 304.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 126573815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).