(4S)-2,2-dimethyl-4-[[4-methyl-3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane

C14H17F3O3 — CID 70932710

IUPAC(4S)-2,2-dimethyl-4-[[4-methyl-3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane
SMILESCc1ccc(OC[C@H]2COC(C)(C)O2)cc1C(F)(F)F
InChIInChI=1S/C14H17F3O3/c1-9-4-5-10(6-12(9)14(15,16)17)18-7-11-8-19-13(2,3)20-11/h4-6,11H,7-8H2,1-3H3/t11-/m0/s1
InChIKeyRLXWTRURLWJMMA-NSHDSACASA-N
MW290.28 g/mol
LogP3.54
Rot. Bonds3

About (4S)-2,2-dimethyl-4-[[4-methyl-3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane

(4S)-2,2-dimethyl-4-[[4-methyl-3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane (PubChem CID 70932710) has the molecular formula C14H17F3O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-[[4-methyl-3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-[[4-methyl-3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane
PubChem CID70932710
Molecular FormulaC14H17F3O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name(4S)-2,2-dimethyl-4-[[4-methyl-3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane
SMILESCc1ccc(OC[C@H]2COC(C)(C)O2)cc1C(F)(F)F
InChIInChI=1S/C14H17F3O3/c1-9-4-5-10(6-12(9)14(15,16)17)18-7-11-8-19-13(2,3)20-11/h4-6,11H,7-8H2,1-3H3/t11-/m0/s1
InChIKeyRLXWTRURLWJMMA-NSHDSACASA-N
XLogP3.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-[[4-methyl-3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane?
The IUPAC name of (4S)-2,2-dimethyl-4-[[4-methyl-3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane (CID 70932710) is (4S)-2,2-dimethyl-4-[[4-methyl-3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-[[4-methyl-3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-dimethyl-4-[[4-methyl-3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane is Cc1ccc(OC[C@H]2COC(C)(C)O2)cc1C(F)(F)F.
What is the InChIKey of (4S)-2,2-dimethyl-4-[[4-methyl-3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane?
The InChIKey is RLXWTRURLWJMMA-NSHDSACASA-N. The full InChI is InChI=1S/C14H17F3O3/c1-9-4-5-10(6-12(9)14(15,16)17)18-7-11-8-19-13(2,3)20-11/h4-6,11H,7-8H2,1-3H3/t11-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-[[4-methyl-3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane?
(4S)-2,2-dimethyl-4-[[4-methyl-3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane has a molecular weight of 290.28 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-[[4-methyl-3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane is sourced from PubChem (CID 70932710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).