4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane

C15H20BrFN2 — CID 65431049

IUPAC4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane
SMILESFc1cc(N2CCNC3(CCCCC3)C2)ccc1Br
InChIInChI=1S/C15H20BrFN2/c16-13-5-4-12(10-14(13)17)19-9-8-18-15(11-19)6-2-1-3-7-15/h4-5,10,18H,1-3,6-9,11H2
InChIKeyCXLZXRFVEIIAKC-UHFFFAOYSA-N
MW327.24 g/mol
LogP3.70
Rot. Bonds1

About 4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane

4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 65431049) has the molecular formula C15H20BrFN2 and a molecular weight of 327.24 g/mol. Its IUPAC name is 4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane
PubChem CID65431049
Molecular FormulaC15H20BrFN2
Molecular Weight327.24 g/mol
Exact Mass326.08
IUPAC Name4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane
SMILESFc1cc(N2CCNC3(CCCCC3)C2)ccc1Br
InChIInChI=1S/C15H20BrFN2/c16-13-5-4-12(10-14(13)17)19-9-8-18-15(11-19)6-2-1-3-7-15/h4-5,10,18H,1-3,6-9,11H2
InChIKeyCXLZXRFVEIIAKC-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-bromo-3-fluorophenyl)-6,9-diazaspiro[4.5]decane
CID 65429942
11-(4-bromo-2,5-difluorophenyl)-7,11-diazaspiro[5.6]dodecane
CID 107608134
10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64950005
9-(2,3-dihydro-1H-inden-5-yl)-6,9-diazaspiro[4.5]decane
CID 64926161
9-naphthalen-2-yl-6,9-diazaspiro[4.5]decane
CID 64952940
9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane
CID 64954522
10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 107594271
10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane
CID 114840945
9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane
CID 64925677
9-(2-chloro-4,6-difluorophenyl)-6,9-diazaspiro[4.5]decane
CID 83082638
11-(4-iodophenyl)-7,11-diazaspiro[5.6]dodecane
CID 64943004
4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64926208

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane (CID 65431049) is 4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane is Fc1cc(N2CCNC3(CCCCC3)C2)ccc1Br.
What is the InChIKey of 4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is CXLZXRFVEIIAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2/c16-13-5-4-12(10-14(13)17)19-9-8-18-15(11-19)6-2-1-3-7-15/h4-5,10,18H,1-3,6-9,11H2.
What are the key properties of 4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane?
4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 327.24 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 65431049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).