(4R,5S)-5-fluoro-2,2-dimethyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-dioxane

C10H16F4O2 — CID 102437060

IUPAC(4R,5S)-5-fluoro-2,2-dimethyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-dioxane
SMILESCC(C)[C@H]1OC(C)(C)OC[C@@]1(F)C(F)(F)F
InChIInChI=1S/C10H16F4O2/c1-6(2)7-9(11,10(12,13)14)5-15-8(3,4)16-7/h6-7H,5H2,1-4H3/t7-,9+/m1/s1
InChIKeyQYAJLMJYOFGRAO-APPZFPTMSA-N
MW244.23 g/mol
LogP3.06
Rot. Bonds1

About (4R,5S)-5-fluoro-2,2-dimethyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-dioxane

(4R,5S)-5-fluoro-2,2-dimethyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-dioxane (PubChem CID 102437060) has the molecular formula C10H16F4O2 and a molecular weight of 244.23 g/mol. Its IUPAC name is (4R,5S)-5-fluoro-2,2-dimethyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-dioxane.

Molecular Properties

Compound Name(4R,5S)-5-fluoro-2,2-dimethyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-dioxane
PubChem CID102437060
Molecular FormulaC10H16F4O2
Molecular Weight244.23 g/mol
Exact Mass244.11
IUPAC Name(4R,5S)-5-fluoro-2,2-dimethyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-dioxane
SMILESCC(C)[C@H]1OC(C)(C)OC[C@@]1(F)C(F)(F)F
InChIInChI=1S/C10H16F4O2/c1-6(2)7-9(11,10(12,13)14)5-15-8(3,4)16-7/h6-7H,5H2,1-4H3/t7-,9+/m1/s1
InChIKeyQYAJLMJYOFGRAO-APPZFPTMSA-N
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R,5S)-5-fluoro-2,2-dimethyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-dioxane with MolForge

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Related Compounds

m-Dioxane, 6-methyl-2,2,4,4-tetrakis(trifluoromethyl)-
CID 58204
5-Fluoro-2,2-dimethyl-4-propyl-5-(trifluoromethyl)-1,3-dioxane
CID 14594620
2-(3-Methylbutyl)-4,6-bis(trifluoromethyl)-1,3-dioxane
CID 21029069
4-Ethyl-6-methyl-2,2-bis(trifluoromethyl)-1,3-dioxane
CID 21353337
4,6-Dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxane
CID 22887511
1-Methoxy-1-(1,1,1-trifluoro-4-methylpentan-2-yl)oxycyclohexane
CID 58636263
2-Ethyl-4,4,5,6,6-pentafluoro-5-(1,1,2,2,3-pentafluoropropyl)-2-(trifluoromethyl)-1,3-dioxane
CID 59628153
4-Methyl-5-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-dioxane
CID 59893365
5-Tert-butyl-2,4-dimethyl-2-(trifluoromethyl)-1,3-dioxane
CID 59893370
5-Tert-butyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxane
CID 59942277
11-(Difluoromethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecane
CID 71225526
4-Ethyl-4,5,5-trifluoro-2,2-dimethyl-1,3-dioxane;fluoromethane
CID 91156451

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-fluoro-2,2-dimethyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-dioxane?
The IUPAC name of (4R,5S)-5-fluoro-2,2-dimethyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-dioxane (CID 102437060) is (4R,5S)-5-fluoro-2,2-dimethyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-dioxane.
What is the SMILES notation for (4R,5S)-5-fluoro-2,2-dimethyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-dioxane?
The canonical SMILES for (4R,5S)-5-fluoro-2,2-dimethyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-dioxane is CC(C)[C@H]1OC(C)(C)OC[C@@]1(F)C(F)(F)F.
What is the InChIKey of (4R,5S)-5-fluoro-2,2-dimethyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-dioxane?
The InChIKey is QYAJLMJYOFGRAO-APPZFPTMSA-N. The full InChI is InChI=1S/C10H16F4O2/c1-6(2)7-9(11,10(12,13)14)5-15-8(3,4)16-7/h6-7H,5H2,1-4H3/t7-,9+/m1/s1.
What are the key properties of (4R,5S)-5-fluoro-2,2-dimethyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-dioxane?
(4R,5S)-5-fluoro-2,2-dimethyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-dioxane has a molecular weight of 244.23 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-fluoro-2,2-dimethyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-dioxane is sourced from PubChem (CID 102437060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).