5-(2-fluorophenyl)-9-methyl-3-azaspiro[5.6]dodecane

C18H26FN — CID 79454886

IUPAC5-(2-fluorophenyl)-9-methyl-3-azaspiro[5.6]dodecane
SMILESCC1CCCC2(CCNCC2c2ccccc2F)CC1
InChIInChI=1S/C18H26FN/c1-14-5-4-9-18(10-8-14)11-12-20-13-16(18)15-6-2-3-7-17(15)19/h2-3,6-7,14,16,20H,4-5,8-13H2,1H3
InChIKeyXTTDPACFLAMVDZ-UHFFFAOYSA-N
MW275.41 g/mol
LogP4.49
Rot. Bonds1

About 5-(2-fluorophenyl)-9-methyl-3-azaspiro[5.6]dodecane

5-(2-fluorophenyl)-9-methyl-3-azaspiro[5.6]dodecane (PubChem CID 79454886) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-9-methyl-3-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name5-(2-fluorophenyl)-9-methyl-3-azaspiro[5.6]dodecane
PubChem CID79454886
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC Name5-(2-fluorophenyl)-9-methyl-3-azaspiro[5.6]dodecane
SMILESCC1CCCC2(CCNCC2c2ccccc2F)CC1
InChIInChI=1S/C18H26FN/c1-14-5-4-9-18(10-8-14)11-12-20-13-16(18)15-6-2-3-7-17(15)19/h2-3,6-7,14,16,20H,4-5,8-13H2,1H3
InChIKeyXTTDPACFLAMVDZ-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

11-(2-fluorophenyl)-2-oxa-9-azaspiro[5.5]undecane
CID 79454348
5-(2-fluorophenyl)-2-propan-2-yl-7-azaspiro[3.5]nonane
CID 103565654
6-(2-fluorophenyl)-2,3-dimethyl-2,8-diazaspiro[4.5]decane
CID 81468166
5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane
CID 79439161
5-(2-chlorophenyl)-3-azaspiro[5.5]undecane
CID 79454124
5-(4-fluorophenyl)-9,9-dimethyl-3-azaspiro[5.6]dodecane
CID 79432872
3-(2-fluorophenyl)-4-methyl-4-(4,4,4-trifluorobutyl)piperidine
CID 116536422
5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.5]undecane
CID 79450871
3'-(2-fluorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]
CID 82855956
5-phenyl-9-(trifluoromethyl)-3-azaspiro[5.5]undecane
CID 79311438
(4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine
CID 124671045
5,9-dimethyl-3-azaspiro[5.5]undecane
CID 79320887

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-9-methyl-3-azaspiro[5.6]dodecane?
The IUPAC name of 5-(2-fluorophenyl)-9-methyl-3-azaspiro[5.6]dodecane (CID 79454886) is 5-(2-fluorophenyl)-9-methyl-3-azaspiro[5.6]dodecane.
What is the SMILES notation for 5-(2-fluorophenyl)-9-methyl-3-azaspiro[5.6]dodecane?
The canonical SMILES for 5-(2-fluorophenyl)-9-methyl-3-azaspiro[5.6]dodecane is CC1CCCC2(CCNCC2c2ccccc2F)CC1.
What is the InChIKey of 5-(2-fluorophenyl)-9-methyl-3-azaspiro[5.6]dodecane?
The InChIKey is XTTDPACFLAMVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN/c1-14-5-4-9-18(10-8-14)11-12-20-13-16(18)15-6-2-3-7-17(15)19/h2-3,6-7,14,16,20H,4-5,8-13H2,1H3.
What are the key properties of 5-(2-fluorophenyl)-9-methyl-3-azaspiro[5.6]dodecane?
5-(2-fluorophenyl)-9-methyl-3-azaspiro[5.6]dodecane has a molecular weight of 275.41 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-9-methyl-3-azaspiro[5.6]dodecane is sourced from PubChem (CID 79454886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).