11-(4-bromo-2,5-difluorophenyl)-7,11-diazaspiro[5.6]dodecane

C16H21BrF2N2 — CID 107608134

IUPAC11-(4-bromo-2,5-difluorophenyl)-7,11-diazaspiro[5.6]dodecane
SMILESFc1cc(N2CCCNC3(CCCCC3)C2)c(F)cc1Br
InChIInChI=1S/C16H21BrF2N2/c17-12-9-14(19)15(10-13(12)18)21-8-4-7-20-16(11-21)5-2-1-3-6-16/h9-10,20H,1-8,11H2
InChIKeyWMWHMFJGZJZKMD-UHFFFAOYSA-N
MW359.26 g/mol
LogP4.23
Rot. Bonds1

About 11-(4-bromo-2,5-difluorophenyl)-7,11-diazaspiro[5.6]dodecane

11-(4-bromo-2,5-difluorophenyl)-7,11-diazaspiro[5.6]dodecane (PubChem CID 107608134) has the molecular formula C16H21BrF2N2 and a molecular weight of 359.26 g/mol. Its IUPAC name is 11-(4-bromo-2,5-difluorophenyl)-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-(4-bromo-2,5-difluorophenyl)-7,11-diazaspiro[5.6]dodecane
PubChem CID107608134
Molecular FormulaC16H21BrF2N2
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC Name11-(4-bromo-2,5-difluorophenyl)-7,11-diazaspiro[5.6]dodecane
SMILESFc1cc(N2CCCNC3(CCCCC3)C2)c(F)cc1Br
InChIInChI=1S/C16H21BrF2N2/c17-12-9-14(19)15(10-13(12)18)21-8-4-7-20-16(11-21)5-2-1-3-6-16/h9-10,20H,1-8,11H2
InChIKeyWMWHMFJGZJZKMD-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 107594271
4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 65431049
10-(4-bromo-2-chlorophenyl)-6,10-diazaspiro[4.6]undecane
CID 64943983
9-(4-bromo-3-fluorophenyl)-6,9-diazaspiro[4.5]decane
CID 65429942
10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64942821
10-(4-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64943378
1-(5-bromo-2,4-difluorophenyl)-3-ethyl-3-methyl-1,4-diazepane
CID 102855217
11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane
CID 64944299
10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64950005
9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane
CID 64925677
10-(2-methylsulfanylphenyl)-6,10-diazaspiro[4.6]undecane
CID 107646279
10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane
CID 114840945

Frequently Asked Questions

What is the IUPAC name of 11-(4-bromo-2,5-difluorophenyl)-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-(4-bromo-2,5-difluorophenyl)-7,11-diazaspiro[5.6]dodecane (CID 107608134) is 11-(4-bromo-2,5-difluorophenyl)-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-(4-bromo-2,5-difluorophenyl)-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-(4-bromo-2,5-difluorophenyl)-7,11-diazaspiro[5.6]dodecane is Fc1cc(N2CCCNC3(CCCCC3)C2)c(F)cc1Br.
What is the InChIKey of 11-(4-bromo-2,5-difluorophenyl)-7,11-diazaspiro[5.6]dodecane?
The InChIKey is WMWHMFJGZJZKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrF2N2/c17-12-9-14(19)15(10-13(12)18)21-8-4-7-20-16(11-21)5-2-1-3-6-16/h9-10,20H,1-8,11H2.
What are the key properties of 11-(4-bromo-2,5-difluorophenyl)-7,11-diazaspiro[5.6]dodecane?
11-(4-bromo-2,5-difluorophenyl)-7,11-diazaspiro[5.6]dodecane has a molecular weight of 359.26 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-bromo-2,5-difluorophenyl)-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 107608134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).