9-[(5-bromo-2-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane

C17H24BrFN2 — CID 64875664

IUPAC9-[(5-bromo-2-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane
SMILESCC1(C)CNC2(CCCC2)CN1Cc1cc(Br)ccc1F
InChIInChI=1S/C17H24BrFN2/c1-16(2)11-20-17(7-3-4-8-17)12-21(16)10-13-9-14(18)5-6-15(13)19/h5-6,9,20H,3-4,7-8,10-12H2,1-2H3
InChIKeyWMCXVJWJCPAOQV-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.08
Rot. Bonds2

About 9-[(5-bromo-2-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane

9-[(5-bromo-2-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane (PubChem CID 64875664) has the molecular formula C17H24BrFN2 and a molecular weight of 355.30 g/mol. Its IUPAC name is 9-[(5-bromo-2-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(5-bromo-2-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane
PubChem CID64875664
Molecular FormulaC17H24BrFN2
Molecular Weight355.30 g/mol
Exact Mass354.11
IUPAC Name9-[(5-bromo-2-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane
SMILESCC1(C)CNC2(CCCC2)CN1Cc1cc(Br)ccc1F
InChIInChI=1S/C17H24BrFN2/c1-16(2)11-20-17(7-3-4-8-17)12-21(16)10-13-9-14(18)5-6-15(13)19/h5-6,9,20H,3-4,7-8,10-12H2,1-2H3
InChIKeyWMCXVJWJCPAOQV-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-[(5-bromo-2-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane with MolForge

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Related Compounds

9-[(2,4-dichlorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane
CID 64876428
4-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 64878397
4-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 64875900
4-[(2-chlorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 64875519
4-[(5-bromothiophen-2-yl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 64877632
6-[(5-bromo-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64843737
8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 82871949
3,3-dimethyl-4-(thiophen-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64875517
8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877587
3,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 79263914
N-[[1-[(5-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63509584
2-[(5-bromo-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 83667778

Frequently Asked Questions

What is the IUPAC name of 9-[(5-bromo-2-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(5-bromo-2-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane (CID 64875664) is 9-[(5-bromo-2-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(5-bromo-2-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(5-bromo-2-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane is CC1(C)CNC2(CCCC2)CN1Cc1cc(Br)ccc1F.
What is the InChIKey of 9-[(5-bromo-2-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane?
The InChIKey is WMCXVJWJCPAOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFN2/c1-16(2)11-20-17(7-3-4-8-17)12-21(16)10-13-9-14(18)5-6-15(13)19/h5-6,9,20H,3-4,7-8,10-12H2,1-2H3.
What are the key properties of 9-[(5-bromo-2-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane?
9-[(5-bromo-2-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane has a molecular weight of 355.30 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-bromo-2-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64875664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).