9-butan-2-yl-10,10-difluoro-3-propan-2-yl-3-azaspiro[5.5]undecane

C17H31F2N — CID 176558376

IUPAC9-butan-2-yl-10,10-difluoro-3-propan-2-yl-3-azaspiro[5.5]undecane
SMILESCCC(C)C1CCC2(CCN(C(C)C)CC2)CC1(F)F
InChIInChI=1S/C17H31F2N/c1-5-14(4)15-6-7-16(12-17(15,18)19)8-10-20(11-9-16)13(2)3/h13-15H,5-12H2,1-4H3
InChIKeyDFRWCRLINJVDBF-UHFFFAOYSA-N
MW287.44 g/mol
LogP4.96
Rot. Bonds3

About 9-butan-2-yl-10,10-difluoro-3-propan-2-yl-3-azaspiro[5.5]undecane

9-butan-2-yl-10,10-difluoro-3-propan-2-yl-3-azaspiro[5.5]undecane (PubChem CID 176558376) has the molecular formula C17H31F2N and a molecular weight of 287.44 g/mol. Its IUPAC name is 9-butan-2-yl-10,10-difluoro-3-propan-2-yl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-butan-2-yl-10,10-difluoro-3-propan-2-yl-3-azaspiro[5.5]undecane
PubChem CID176558376
Molecular FormulaC17H31F2N
Molecular Weight287.44 g/mol
Exact Mass287.24
IUPAC Name9-butan-2-yl-10,10-difluoro-3-propan-2-yl-3-azaspiro[5.5]undecane
SMILESCCC(C)C1CCC2(CCN(C(C)C)CC2)CC1(F)F
InChIInChI=1S/C17H31F2N/c1-5-14(4)15-6-7-16(12-17(15,18)19)8-10-20(11-9-16)13(2)3/h13-15H,5-12H2,1-4H3
InChIKeyDFRWCRLINJVDBF-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
CID 177228251
9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928
3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
CID 171508943
2-butan-2-yl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 170952212
ethane;8-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane
CID 154670982
2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane
CID 170740276
ethane;2-ethyl-7-propan-2-yl-2,7-diazaspiro[3.4]octane
CID 156798626
ethane;2-ethoxy-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 170581774
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 164540860
7-(4-butan-2-ylcyclohexyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 176983528

Frequently Asked Questions

What is the IUPAC name of 9-butan-2-yl-10,10-difluoro-3-propan-2-yl-3-azaspiro[5.5]undecane?
The IUPAC name of 9-butan-2-yl-10,10-difluoro-3-propan-2-yl-3-azaspiro[5.5]undecane (CID 176558376) is 9-butan-2-yl-10,10-difluoro-3-propan-2-yl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 9-butan-2-yl-10,10-difluoro-3-propan-2-yl-3-azaspiro[5.5]undecane?
The canonical SMILES for 9-butan-2-yl-10,10-difluoro-3-propan-2-yl-3-azaspiro[5.5]undecane is CCC(C)C1CCC2(CCN(C(C)C)CC2)CC1(F)F.
What is the InChIKey of 9-butan-2-yl-10,10-difluoro-3-propan-2-yl-3-azaspiro[5.5]undecane?
The InChIKey is DFRWCRLINJVDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31F2N/c1-5-14(4)15-6-7-16(12-17(15,18)19)8-10-20(11-9-16)13(2)3/h13-15H,5-12H2,1-4H3.
What are the key properties of 9-butan-2-yl-10,10-difluoro-3-propan-2-yl-3-azaspiro[5.5]undecane?
9-butan-2-yl-10,10-difluoro-3-propan-2-yl-3-azaspiro[5.5]undecane has a molecular weight of 287.44 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butan-2-yl-10,10-difluoro-3-propan-2-yl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 176558376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).