2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane

C15H20ClFN2 — CID 120906452

IUPAC2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
SMILESFc1c(Cl)cccc1CN1CCC2(CCNCC2)C1
InChIInChI=1S/C15H20ClFN2/c16-13-3-1-2-12(14(13)17)10-19-9-6-15(11-19)4-7-18-8-5-15/h1-3,18H,4-11H2
InChIKeyOVEWNENYBULQPU-UHFFFAOYSA-N
MW282.79 g/mol
LogP3.05
Rot. Bonds2

About 2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane

2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 120906452) has the molecular formula C15H20ClFN2 and a molecular weight of 282.79 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID120906452
Molecular FormulaC15H20ClFN2
Molecular Weight282.79 g/mol
Exact Mass282.13
IUPAC Name2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
SMILESFc1c(Cl)cccc1CN1CCC2(CCNCC2)C1
InChIInChI=1S/C15H20ClFN2/c16-13-3-1-2-12(14(13)17)10-19-9-6-15(11-19)4-7-18-8-5-15/h1-3,18H,4-11H2
InChIKeyOVEWNENYBULQPU-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906566
2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 120907566
7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56909547
2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120966877
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906721
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906720
(1S,3R)-7-[(3-chloro-2-fluorophenyl)methyl]-7-azaspiro[3.5]nonane-1,3-diol
CID 70788381
2-[(4-chloro-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908384
9-[(3-chloro-2-fluorophenyl)methyl]-2-[(2R)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97148997
2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038699
1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781953
2-[(6-fluoroquinolin-8-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907414

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane (CID 120906452) is 2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane is Fc1c(Cl)cccc1CN1CCC2(CCNCC2)C1.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is OVEWNENYBULQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2/c16-13-3-1-2-12(14(13)17)10-19-9-6-15(11-19)4-7-18-8-5-15/h1-3,18H,4-11H2.
What are the key properties of 2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane?
2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 282.79 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 120906452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).