2-(2-chloro-4-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone

C16H18ClFO3 — CID 79908885

IUPAC2-(2-chloro-4-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H18ClFO3/c17-14-8-13(18)2-1-11(14)7-15(19)12-3-5-21-16(9-12)4-6-20-10-16/h1-2,8,12H,3-7,9-10H2
InChIKeyJPXHZFYXKMVWQQ-UHFFFAOYSA-N
MW312.77 g/mol
LogP3.18
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone

2-(2-chloro-4-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone (PubChem CID 79908885) has the molecular formula C16H18ClFO3 and a molecular weight of 312.77 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
PubChem CID79908885
Molecular FormulaC16H18ClFO3
Molecular Weight312.77 g/mol
Exact Mass312.09
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H18ClFO3/c17-14-8-13(18)2-1-11(14)7-15(19)12-3-5-21-16(9-12)4-6-20-10-16/h1-2,8,12H,3-7,9-10H2
InChIKeyJPXHZFYXKMVWQQ-UHFFFAOYSA-N
XLogP3.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(4-methylphenyl)ethanone
CID 79921686
2-(3,5-dimethylphenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 79908661
2-(4-aminophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 116549498
2-(3,4-dimethylphenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 79908876
2-(3-bromophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 79913015
N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897441
(3-chloro-4-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79908902
3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116550718
2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921775
(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 106865081
(3-chlorothiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 115787851
2-chloro-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-fluorobenzamide
CID 99970364

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone (CID 79908885) is 2-(2-chloro-4-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone is O=C(Cc1ccc(F)cc1Cl)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone?
The InChIKey is JPXHZFYXKMVWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFO3/c17-14-8-13(18)2-1-11(14)7-15(19)12-3-5-21-16(9-12)4-6-20-10-16/h1-2,8,12H,3-7,9-10H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone?
2-(2-chloro-4-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone has a molecular weight of 312.77 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone is sourced from PubChem (CID 79908885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).