4-(fluoromethyl)-2,2-dimethyl-5-propan-2-yl-1,3-dioxane

C10H19FO2 — CID 167263940

IUPAC4-(fluoromethyl)-2,2-dimethyl-5-propan-2-yl-1,3-dioxane
SMILESCC(C)C1COC(C)(C)OC1CF
InChIInChI=1S/C10H19FO2/c1-7(2)8-6-12-10(3,4)13-9(8)5-11/h7-9H,5-6H2,1-4H3
InChIKeyLTSQJVZXVOOWSR-UHFFFAOYSA-N
MW190.26 g/mol
LogP2.38
Rot. Bonds2

About 4-(fluoromethyl)-2,2-dimethyl-5-propan-2-yl-1,3-dioxane

4-(fluoromethyl)-2,2-dimethyl-5-propan-2-yl-1,3-dioxane (PubChem CID 167263940) has the molecular formula C10H19FO2 and a molecular weight of 190.26 g/mol. Its IUPAC name is 4-(fluoromethyl)-2,2-dimethyl-5-propan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name4-(fluoromethyl)-2,2-dimethyl-5-propan-2-yl-1,3-dioxane
PubChem CID167263940
Molecular FormulaC10H19FO2
Molecular Weight190.26 g/mol
Exact Mass190.14
IUPAC Name4-(fluoromethyl)-2,2-dimethyl-5-propan-2-yl-1,3-dioxane
SMILESCC(C)C1COC(C)(C)OC1CF
InChIInChI=1S/C10H19FO2/c1-7(2)8-6-12-10(3,4)13-9(8)5-11/h7-9H,5-6H2,1-4H3
InChIKeyLTSQJVZXVOOWSR-UHFFFAOYSA-N
XLogP2.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-Methoxyethyl)-2-methyl-5-(propan-2-yl)-1,3-dioxane
CID 199634
2,2,4-Trimethyl-5-ethyl-1,3-dioxane
CID 129784838
2,2-Bis(fluoromethyl)-5-propan-2-yl-1,3-dioxane
CID 59792592
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
2,2-Bis(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane
CID 118175848
2-Ethyl-2-(fluoromethyl)-5,5-di(propan-2-yl)-1,3-dioxane
CID 130187431
5-Ethyl-2,2-bis(fluoromethyl)-5-propan-2-yl-1,3-dioxane
CID 130196116
(5S)-5-(3-fluoro-3-methylbutan-2-yl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
CID 149443426
5,5-Difluoro-2,2-dimethyl-4-propan-2-yl-1,3-dioxane
CID 159796459
4-(Fluoromethyl)-2,5,6-trimethyl-1,3-dioxane
CID 171762032

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2,2-dimethyl-5-propan-2-yl-1,3-dioxane?
The IUPAC name of 4-(fluoromethyl)-2,2-dimethyl-5-propan-2-yl-1,3-dioxane (CID 167263940) is 4-(fluoromethyl)-2,2-dimethyl-5-propan-2-yl-1,3-dioxane.
What is the SMILES notation for 4-(fluoromethyl)-2,2-dimethyl-5-propan-2-yl-1,3-dioxane?
The canonical SMILES for 4-(fluoromethyl)-2,2-dimethyl-5-propan-2-yl-1,3-dioxane is CC(C)C1COC(C)(C)OC1CF.
What is the InChIKey of 4-(fluoromethyl)-2,2-dimethyl-5-propan-2-yl-1,3-dioxane?
The InChIKey is LTSQJVZXVOOWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO2/c1-7(2)8-6-12-10(3,4)13-9(8)5-11/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-(fluoromethyl)-2,2-dimethyl-5-propan-2-yl-1,3-dioxane?
4-(fluoromethyl)-2,2-dimethyl-5-propan-2-yl-1,3-dioxane has a molecular weight of 190.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2,2-dimethyl-5-propan-2-yl-1,3-dioxane is sourced from PubChem (CID 167263940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).