(2-chloro-4-fluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C14H15ClFNO3 — CID 6467102

IUPAC(2-chloro-4-fluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H15ClFNO3/c15-12-9-10(16)1-2-11(12)13(18)17-5-3-14(4-6-17)19-7-8-20-14/h1-2,9H,3-8H2
InChIKeyLEUWTYCVPZZTKW-UHFFFAOYSA-N
MW299.73 g/mol
LogP2.46
Rot. Bonds1

About (2-chloro-4-fluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

(2-chloro-4-fluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 6467102) has the molecular formula C14H15ClFNO3 and a molecular weight of 299.73 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID6467102
Molecular FormulaC14H15ClFNO3
Molecular Weight299.73 g/mol
Exact Mass299.07
IUPAC Name(2-chloro-4-fluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H15ClFNO3/c15-12-9-10(16)1-2-11(12)13(18)17-5-3-14(4-6-17)19-7-8-20-14/h1-2,9H,3-8H2
InChIKeyLEUWTYCVPZZTKW-UHFFFAOYSA-N
XLogP2.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 6467102) is (2-chloro-4-fluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is O=C(c1ccc(F)cc1Cl)N1CCC2(CC1)OCCO2.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is LEUWTYCVPZZTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO3/c15-12-9-10(16)1-2-11(12)13(18)17-5-3-14(4-6-17)19-7-8-20-14/h1-2,9H,3-8H2.
What are the key properties of (2-chloro-4-fluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
(2-chloro-4-fluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 299.73 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 6467102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).