9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane

C15H19ClFNO — CID 86771401

IUPAC9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane
SMILESFc1cccc(Cl)c1CN1CCOCC2(CCC2)C1
InChIInChI=1S/C15H19ClFNO/c16-13-3-1-4-14(17)12(13)9-18-7-8-19-11-15(10-18)5-2-6-15/h1,3-4H,2,5-11H2
InChIKeyQAEVKICZSYUSRZ-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.48
Rot. Bonds2

About 9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane

9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane (PubChem CID 86771401) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is 9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane.

Molecular Properties

Compound Name9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane
PubChem CID86771401
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane
SMILESFc1cccc(Cl)c1CN1CCOCC2(CCC2)C1
InChIInChI=1S/C15H19ClFNO/c16-13-3-1-4-14(17)12(13)9-18-7-8-19-11-15(10-18)5-2-6-15/h1,3-4H,2,5-11H2
InChIKeyQAEVKICZSYUSRZ-UHFFFAOYSA-N
XLogP3.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine
CID 171691361
N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 4720319
1-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55165198
[(3S,4R)-1-[(2-chloro-6-fluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 133122079
1-[(2-chloro-6-fluorophenyl)methyl]-1,5-diazocane
CID 95049087
8-[[1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-5-oxa-8-azaspiro[2.6]nonane
CID 154743738
[1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 45189123
1-(2-chloroethyl)-4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepane
CID 63387643
1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 22195379
[4-[(2-chloro-6-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800553
4-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)-5-phenyl-1,3-dioxol-2-one
CID 136573802
2-[3-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]oxolan-3-yl]ethanol
CID 126779399

Frequently Asked Questions

What is the IUPAC name of 9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane?
The IUPAC name of 9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane (CID 86771401) is 9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane.
What is the SMILES notation for 9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane?
The canonical SMILES for 9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane is Fc1cccc(Cl)c1CN1CCOCC2(CCC2)C1.
What is the InChIKey of 9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane?
The InChIKey is QAEVKICZSYUSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c16-13-3-1-4-14(17)12(13)9-18-7-8-19-11-15(10-18)5-2-6-15/h1,3-4H,2,5-11H2.
What are the key properties of 9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane?
9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane has a molecular weight of 283.77 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane is sourced from PubChem (CID 86771401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).