5-fluoro-2,2-dimethyl-4-propyl-5-(trifluoromethyl)-1,3-dioxane

C10H16F4O2 — CID 14594620

IUPAC5-fluoro-2,2-dimethyl-4-propyl-5-(trifluoromethyl)-1,3-dioxane
SMILESCCCC1OC(C)(C)OCC1(F)C(F)(F)F
InChIInChI=1S/C10H16F4O2/c1-4-5-7-9(11,10(12,13)14)6-15-8(2,3)16-7/h7H,4-6H2,1-3H3
InChIKeyYUSFLTKXCKBQHA-UHFFFAOYSA-N
MW244.23 g/mol
LogP3.21
Rot. Bonds2

About 5-fluoro-2,2-dimethyl-4-propyl-5-(trifluoromethyl)-1,3-dioxane

5-fluoro-2,2-dimethyl-4-propyl-5-(trifluoromethyl)-1,3-dioxane (PubChem CID 14594620) has the molecular formula C10H16F4O2 and a molecular weight of 244.23 g/mol. Its IUPAC name is 5-fluoro-2,2-dimethyl-4-propyl-5-(trifluoromethyl)-1,3-dioxane.

Molecular Properties

Compound Name5-fluoro-2,2-dimethyl-4-propyl-5-(trifluoromethyl)-1,3-dioxane
PubChem CID14594620
Molecular FormulaC10H16F4O2
Molecular Weight244.23 g/mol
Exact Mass244.11
IUPAC Name5-fluoro-2,2-dimethyl-4-propyl-5-(trifluoromethyl)-1,3-dioxane
SMILESCCCC1OC(C)(C)OCC1(F)C(F)(F)F
InChIInChI=1S/C10H16F4O2/c1-4-5-7-9(11,10(12,13)14)6-15-8(2,3)16-7/h7H,4-6H2,1-3H3
InChIKeyYUSFLTKXCKBQHA-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,2-dimethyl-4-propyl-5-(trifluoromethyl)-1,3-dioxane?
The IUPAC name of 5-fluoro-2,2-dimethyl-4-propyl-5-(trifluoromethyl)-1,3-dioxane (CID 14594620) is 5-fluoro-2,2-dimethyl-4-propyl-5-(trifluoromethyl)-1,3-dioxane.
What is the SMILES notation for 5-fluoro-2,2-dimethyl-4-propyl-5-(trifluoromethyl)-1,3-dioxane?
The canonical SMILES for 5-fluoro-2,2-dimethyl-4-propyl-5-(trifluoromethyl)-1,3-dioxane is CCCC1OC(C)(C)OCC1(F)C(F)(F)F.
What is the InChIKey of 5-fluoro-2,2-dimethyl-4-propyl-5-(trifluoromethyl)-1,3-dioxane?
The InChIKey is YUSFLTKXCKBQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4O2/c1-4-5-7-9(11,10(12,13)14)6-15-8(2,3)16-7/h7H,4-6H2,1-3H3.
What are the key properties of 5-fluoro-2,2-dimethyl-4-propyl-5-(trifluoromethyl)-1,3-dioxane?
5-fluoro-2,2-dimethyl-4-propyl-5-(trifluoromethyl)-1,3-dioxane has a molecular weight of 244.23 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,2-dimethyl-4-propyl-5-(trifluoromethyl)-1,3-dioxane is sourced from PubChem (CID 14594620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).