8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

C14H17ClFNO2 — CID 113345091

IUPAC8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1cc(CN2CCC3(CC2)OCCO3)ccc1Cl
InChIInChI=1S/C14H17ClFNO2/c15-12-2-1-11(9-13(12)16)10-17-5-3-14(4-6-17)18-7-8-19-14/h1-2,9H,3-8,10H2
InChIKeyDAAGTPNSRMRWPZ-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.82
Rot. Bonds2

About 8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 113345091) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID113345091
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1cc(CN2CCC3(CC2)OCCO3)ccc1Cl
InChIInChI=1S/C14H17ClFNO2/c15-12-2-1-11(9-13(12)16)10-17-5-3-14(4-6-17)18-7-8-19-14/h1-2,9H,3-8,10H2
InChIKeyDAAGTPNSRMRWPZ-UHFFFAOYSA-N
XLogP2.82
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 59805850
8-[(3-bromo-4-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 60523654
8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6466091
(3S,4R)-9-[(4-chloro-3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 164688391
1-[(4-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)piperidine
CID 107887383
(3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
CID 24724477
8-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 46044504
1-[(4-chloro-3-fluorophenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 65064671
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 105400817
1-benzyl-9-[(4-chloro-3-fluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398755
1-[(4-chloro-3-fluorophenyl)methyl]-3-methylazetidin-3-ol
CID 107886027
8-[[2-(4-chloro-3,5-dimethylphenyl)-4-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 21352355

Frequently Asked Questions

What is the IUPAC name of 8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 113345091) is 8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is Fc1cc(CN2CCC3(CC2)OCCO3)ccc1Cl.
What is the InChIKey of 8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is DAAGTPNSRMRWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-12-2-1-11(9-13(12)16)10-17-5-3-14(4-6-17)18-7-8-19-14/h1-2,9H,3-8,10H2.
What are the key properties of 8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 285.75 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 113345091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).