2-[(5-bromo-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane

C14H18BrFN2 — CID 83667778

IUPAC2-[(5-bromo-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESFc1ccc(Br)cc1CN1CCC2(CCNC2)C1
InChIInChI=1S/C14H18BrFN2/c15-12-1-2-13(16)11(7-12)8-18-6-4-14(10-18)3-5-17-9-14/h1-2,7,17H,3-6,8-10H2
InChIKeyWJLIKDFGRRQVDS-UHFFFAOYSA-N
MW313.21 g/mol
LogP2.77
Rot. Bonds2

About 2-[(5-bromo-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane

2-[(5-bromo-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 83667778) has the molecular formula C14H18BrFN2 and a molecular weight of 313.21 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
PubChem CID83667778
Molecular FormulaC14H18BrFN2
Molecular Weight313.21 g/mol
Exact Mass312.06
IUPAC Name2-[(5-bromo-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESFc1ccc(Br)cc1CN1CCC2(CCNC2)C1
InChIInChI=1S/C14H18BrFN2/c15-12-1-2-13(16)11(7-12)8-18-6-4-14(10-18)3-5-17-9-14/h1-2,7,17H,3-6,8-10H2
InChIKeyWJLIKDFGRRQVDS-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chloro-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908384
2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849338
2-[(3-bromo-2,6-difluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908051
2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038699
2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 150216929
2-[(2-bromo-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908668
2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120966877
2-[(4-fluoro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907656
2-[(4-bromo-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906603
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038611
2-[(3-fluoro-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908775
2-[(2,4-dimethylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907707

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane (CID 83667778) is 2-[(5-bromo-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane is Fc1ccc(Br)cc1CN1CCC2(CCNC2)C1.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is WJLIKDFGRRQVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2/c15-12-1-2-13(16)11(7-12)8-18-6-4-14(10-18)3-5-17-9-14/h1-2,7,17H,3-6,8-10H2.
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane?
2-[(5-bromo-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 313.21 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 83667778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).