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

C14H18ClFN2 — CID 120966877

IUPAC2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESFc1ccc(Cl)c(CN2CCC3(CCNC3)C2)c1
InChIInChI=1S/C14H18ClFN2/c15-13-2-1-12(16)7-11(13)8-18-6-4-14(10-18)3-5-17-9-14/h1-2,7,17H,3-6,8-10H2
InChIKeySBLFAUTTZHTTBN-UHFFFAOYSA-N
MW268.76 g/mol
LogP2.66
Rot. Bonds2

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

2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 120966877) has the molecular formula C14H18ClFN2 and a molecular weight of 268.76 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
PubChem CID120966877
Molecular FormulaC14H18ClFN2
Molecular Weight268.76 g/mol
Exact Mass268.11
IUPAC Name2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESFc1ccc(Cl)c(CN2CCC3(CCNC3)C2)c1
InChIInChI=1S/C14H18ClFN2/c15-13-2-1-12(16)7-11(13)8-18-6-4-14(10-18)3-5-17-9-14/h1-2,7,17H,3-6,8-10H2
InChIKeySBLFAUTTZHTTBN-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.76
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluoro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907656
2-[(2-chloro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120966878
2-[(4-chloro-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908384
2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038699
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038611
10-[(2-chloro-5-fluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 102620775
2-[(5-bromo-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 83667778
2-[(2,5-dichlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 82038748
2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 150216929
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906452
2-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907677

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane (CID 120966877) is 2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane is Fc1ccc(Cl)c(CN2CCC3(CCNC3)C2)c1.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is SBLFAUTTZHTTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2/c15-13-2-1-12(16)7-11(13)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-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane?
2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 268.76 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 120966877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).