8-[(2-chloro-6-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

C14H17ClFNO2 — CID 6467194

IUPAC8-[(2-chloro-6-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1cccc(Cl)c1CN1CCC2(CC1)OCCO2
InChIInChI=1S/C14H17ClFNO2/c15-12-2-1-3-13(16)11(12)10-17-6-4-14(5-7-17)18-8-9-19-14/h1-3H,4-10H2
InChIKeyWIINRGGHJNNSHC-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.82
Rot. Bonds2

About 8-[(2-chloro-6-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(2-chloro-6-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 6467194) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 8-[(2-chloro-6-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(2-chloro-6-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID6467194
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name8-[(2-chloro-6-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1cccc(Cl)c1CN1CCC2(CC1)OCCO2
InChIInChI=1S/C14H17ClFNO2/c15-12-2-1-3-13(16)11(12)10-17-6-4-14(5-7-17)18-8-9-19-14/h1-3H,4-10H2
InChIKeyWIINRGGHJNNSHC-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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Frequently Asked Questions

What is the IUPAC name of 8-[(2-chloro-6-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(2-chloro-6-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 6467194) is 8-[(2-chloro-6-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(2-chloro-6-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(2-chloro-6-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is Fc1cccc(Cl)c1CN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[(2-chloro-6-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is WIINRGGHJNNSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-12-2-1-3-13(16)11(12)10-17-6-4-14(5-7-17)18-8-9-19-14/h1-3H,4-10H2.
What are the key properties of 8-[(2-chloro-6-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(2-chloro-6-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-[(2-chloro-6-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 6467194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).