9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane

C14H16BrFO3 — CID 83231233

IUPAC9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane
SMILESFc1ccc(OC2CCOC3(CCOC3)C2)cc1Br
InChIInChI=1S/C14H16BrFO3/c15-12-7-10(1-2-13(12)16)19-11-3-5-18-14(8-11)4-6-17-9-14/h1-2,7,11H,3-6,8-9H2
InChIKeyOVNZDWKQPYEMBP-UHFFFAOYSA-N
MW331.18 g/mol
LogP3.31
Rot. Bonds2

About 9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane

9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane (PubChem CID 83231233) has the molecular formula C14H16BrFO3 and a molecular weight of 331.18 g/mol. Its IUPAC name is 9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane
PubChem CID83231233
Molecular FormulaC14H16BrFO3
Molecular Weight331.18 g/mol
Exact Mass330.03
IUPAC Name9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane
SMILESFc1ccc(OC2CCOC3(CCOC3)C2)cc1Br
InChIInChI=1S/C14H16BrFO3/c15-12-7-10(1-2-13(12)16)19-11-3-5-18-14(8-11)4-6-17-9-14/h1-2,7,11H,3-6,8-9H2
InChIKeyOVNZDWKQPYEMBP-UHFFFAOYSA-N
XLogP3.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 107171386
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-fluorobenzoic acid
CID 107675399
9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 79922926
2-amino-5-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 107077160
4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane
CID 114672924
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline
CID 79904832
[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]boronic acid
CID 79894699
2-chloro-4-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzonitrile
CID 102724034
3-(3-bromo-4-fluorophenoxy)oxane
CID 107134793
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline
CID 114415938
9-[2-(bromomethyl)-4-fluorophenoxy]-2,6-dioxaspiro[4.5]decane
CID 107699125
8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane
CID 82727190

Frequently Asked Questions

What is the IUPAC name of 9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane?
The IUPAC name of 9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane (CID 83231233) is 9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane.
What is the SMILES notation for 9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane?
The canonical SMILES for 9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane is Fc1ccc(OC2CCOC3(CCOC3)C2)cc1Br.
What is the InChIKey of 9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane?
The InChIKey is OVNZDWKQPYEMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFO3/c15-12-7-10(1-2-13(12)16)19-11-3-5-18-14(8-11)4-6-17-9-14/h1-2,7,11H,3-6,8-9H2.
What are the key properties of 9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane?
9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane has a molecular weight of 331.18 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane is sourced from PubChem (CID 83231233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).