5-(3-fluorophenyl)-9,10-dimethyl-3-azaspiro[5.5]undecane

C18H26FN — CID 79432055

IUPAC5-(3-fluorophenyl)-9,10-dimethyl-3-azaspiro[5.5]undecane
SMILESCC1CCC2(CCNCC2c2cccc(F)c2)CC1C
InChIInChI=1S/C18H26FN/c1-13-6-7-18(11-14(13)2)8-9-20-12-17(18)15-4-3-5-16(19)10-15/h3-5,10,13-14,17,20H,6-9,11-12H2,1-2H3
InChIKeyKUCRTXIGGQXZFQ-UHFFFAOYSA-N
MW275.41 g/mol
LogP4.35
Rot. Bonds1

About 5-(3-fluorophenyl)-9,10-dimethyl-3-azaspiro[5.5]undecane

5-(3-fluorophenyl)-9,10-dimethyl-3-azaspiro[5.5]undecane (PubChem CID 79432055) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-9,10-dimethyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-(3-fluorophenyl)-9,10-dimethyl-3-azaspiro[5.5]undecane
PubChem CID79432055
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC Name5-(3-fluorophenyl)-9,10-dimethyl-3-azaspiro[5.5]undecane
SMILESCC1CCC2(CCNCC2c2cccc(F)c2)CC1C
InChIInChI=1S/C18H26FN/c1-13-6-7-18(11-14(13)2)8-9-20-12-17(18)15-4-3-5-16(19)10-15/h3-5,10,13-14,17,20H,6-9,11-12H2,1-2H3
InChIKeyKUCRTXIGGQXZFQ-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane
CID 106824886
11-(3-fluorophenyl)-3-oxa-9-azaspiro[5.5]undecane
CID 79433041
5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane
CID 79431795
5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane
CID 79433045
5-(3-bromophenyl)-9,9-dimethyl-3-azaspiro[5.5]undecane
CID 79433285
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane
CID 79437998
4-ethyl-3-(3-fluorophenyl)-4-(2-methylbutyl)piperidine
CID 79439867
4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane
CID 79441377
4,4-difluoro-3-(3-methylphenyl)piperidine
CID 84723273
10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane
CID 79442268
3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
CID 79432318

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-9,10-dimethyl-3-azaspiro[5.5]undecane?
The IUPAC name of 5-(3-fluorophenyl)-9,10-dimethyl-3-azaspiro[5.5]undecane (CID 79432055) is 5-(3-fluorophenyl)-9,10-dimethyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 5-(3-fluorophenyl)-9,10-dimethyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 5-(3-fluorophenyl)-9,10-dimethyl-3-azaspiro[5.5]undecane is CC1CCC2(CCNCC2c2cccc(F)c2)CC1C.
What is the InChIKey of 5-(3-fluorophenyl)-9,10-dimethyl-3-azaspiro[5.5]undecane?
The InChIKey is KUCRTXIGGQXZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN/c1-13-6-7-18(11-14(13)2)8-9-20-12-17(18)15-4-3-5-16(19)10-15/h3-5,10,13-14,17,20H,6-9,11-12H2,1-2H3.
What are the key properties of 5-(3-fluorophenyl)-9,10-dimethyl-3-azaspiro[5.5]undecane?
5-(3-fluorophenyl)-9,10-dimethyl-3-azaspiro[5.5]undecane has a molecular weight of 275.41 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-9,10-dimethyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 79432055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).