8,8-difluoro-3-methyl-2-(2-methylpropyl)-2-azaspiro[4.5]decane

C14H25F2N — CID 170012501

IUPAC8,8-difluoro-3-methyl-2-(2-methylpropyl)-2-azaspiro[4.5]decane
SMILESCC(C)CN1CC2(CCC(F)(F)CC2)CC1C
InChIInChI=1S/C14H25F2N/c1-11(2)9-17-10-13(8-12(17)3)4-6-14(15,16)7-5-13/h11-12H,4-10H2,1-3H3
InChIKeyGIRUHGFAPRPVLD-UHFFFAOYSA-N
MW245.36 g/mol
LogP3.93
Rot. Bonds2

About 8,8-difluoro-3-methyl-2-(2-methylpropyl)-2-azaspiro[4.5]decane

8,8-difluoro-3-methyl-2-(2-methylpropyl)-2-azaspiro[4.5]decane (PubChem CID 170012501) has the molecular formula C14H25F2N and a molecular weight of 245.36 g/mol. Its IUPAC name is 8,8-difluoro-3-methyl-2-(2-methylpropyl)-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name8,8-difluoro-3-methyl-2-(2-methylpropyl)-2-azaspiro[4.5]decane
PubChem CID170012501
Molecular FormulaC14H25F2N
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name8,8-difluoro-3-methyl-2-(2-methylpropyl)-2-azaspiro[4.5]decane
SMILESCC(C)CN1CC2(CCC(F)(F)CC2)CC1C
InChIInChI=1S/C14H25F2N/c1-11(2)9-17-10-13(8-12(17)3)4-6-14(15,16)7-5-13/h11-12H,4-10H2,1-3H3
InChIKeyGIRUHGFAPRPVLD-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-4,4-difluoro-2-methyl-1-(2-methylpropyl)pyrrolidine
CID 163939113
3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64877798
5,6-dimethyl-5-azaspiro[2.4]heptane;ethane
CID 144912069
2-methyl-1-(2-methylpropyl)-4,4-diphenylpyrrolidine
CID 101474054
(2R)-1-ethyl-4,4-difluoro-2-methylpiperidine
CID 174261400
(2S)-1-ethyl-4,4-difluoro-2-methylpiperidine
CID 156560046
3-ethyl-3,7-dimethyl-1-(2-methylpropyl)-1,4-diazepane
CID 64870853
6,6-difluorospiro[2.5]octane
CID 58561650
(2S)-4-fluoro-2-methyl-1-(2-methylpropyl)piperidine
CID 171752860
2,2-difluoro-6,7-dimethyl-6-azaspiro[3.4]octane;ethane
CID 177157431
2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane
CID 129193409
N,3-dimethyl-2-azaspiro[4.4]nonan-2-amine
CID 123491206

Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-3-methyl-2-(2-methylpropyl)-2-azaspiro[4.5]decane?
The IUPAC name of 8,8-difluoro-3-methyl-2-(2-methylpropyl)-2-azaspiro[4.5]decane (CID 170012501) is 8,8-difluoro-3-methyl-2-(2-methylpropyl)-2-azaspiro[4.5]decane.
What is the SMILES notation for 8,8-difluoro-3-methyl-2-(2-methylpropyl)-2-azaspiro[4.5]decane?
The canonical SMILES for 8,8-difluoro-3-methyl-2-(2-methylpropyl)-2-azaspiro[4.5]decane is CC(C)CN1CC2(CCC(F)(F)CC2)CC1C.
What is the InChIKey of 8,8-difluoro-3-methyl-2-(2-methylpropyl)-2-azaspiro[4.5]decane?
The InChIKey is GIRUHGFAPRPVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N/c1-11(2)9-17-10-13(8-12(17)3)4-6-14(15,16)7-5-13/h11-12H,4-10H2,1-3H3.
What are the key properties of 8,8-difluoro-3-methyl-2-(2-methylpropyl)-2-azaspiro[4.5]decane?
8,8-difluoro-3-methyl-2-(2-methylpropyl)-2-azaspiro[4.5]decane has a molecular weight of 245.36 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-3-methyl-2-(2-methylpropyl)-2-azaspiro[4.5]decane is sourced from PubChem (CID 170012501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).