(4R)-2,2-dimethyl-4-[[2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-1,3-dioxolane

C17H23F3O3 — CID 162603257

IUPAC(4R)-2,2-dimethyl-4-[[2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-1,3-dioxolane
SMILESCc1cc(C(C)(C)C(F)(F)F)ccc1OC[C@@H]1COC(C)(C)O1
InChIInChI=1S/C17H23F3O3/c1-11-8-12(15(2,3)17(18,19)20)6-7-14(11)21-9-13-10-22-16(4,5)23-13/h6-8,13H,9-10H2,1-5H3/t13-/m1/s1
InChIKeyMDHSCWXJWXZESS-CYBMUJFWSA-N
MW332.36 g/mol
LogP4.37
Rot. Bonds4

About (4R)-2,2-dimethyl-4-[[2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-1,3-dioxolane

(4R)-2,2-dimethyl-4-[[2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-1,3-dioxolane (PubChem CID 162603257) has the molecular formula C17H23F3O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-4-[[2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-4-[[2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-1,3-dioxolane
PubChem CID162603257
Molecular FormulaC17H23F3O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name(4R)-2,2-dimethyl-4-[[2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-1,3-dioxolane
SMILESCc1cc(C(C)(C)C(F)(F)F)ccc1OC[C@@H]1COC(C)(C)O1
InChIInChI=1S/C17H23F3O3/c1-11-8-12(15(2,3)17(18,19)20)6-7-14(11)21-9-13-10-22-16(4,5)23-13/h6-8,13H,9-10H2,1-5H3/t13-/m1/s1
InChIKeyMDHSCWXJWXZESS-CYBMUJFWSA-N
XLogP4.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-2,2-dimethyl-4-[[2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-1,3-dioxolane with MolForge

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Related Compounds

4-[(2-tert-butyl-4-methylphenoxy)methyl]-2,2-dimethyl-1,3-dioxolane
CID 68913818
(4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane
CID 71365815
1-[4-[3-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4,4-dimethylpent-1-yn-3-ol
CID 69335731
5-[4-[3-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-ethylhex-4-en-3-ol
CID 69333500
(4S)-2,2-dimethyl-4-[[4-methyl-3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane
CID 70932710
2,2-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane
CID 78066178
2,2-dimethyl-4-[[4-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]methyl]-1,3-dioxolane
CID 89180979
(E)-1-[4-[3-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4,4-dimethylpent-1-en-3-ol;(2S)-3-[4-[3-[4-[(E)-3-hydroxy-4,4-dimethylpent-1-enyl]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol
CID 160763849
4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-5-fluorobenzene-1,2-diamine
CID 178075892
4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2,3-dimethylpyridine
CID 91060133
2,2-dimethyl-4-[(4-methylphenoxy)methyl]-1,3-dioxolane
CID 66834871
4-chloro-2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]benzonitrile
CID 10706967

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-4-[[2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-1,3-dioxolane?
The IUPAC name of (4R)-2,2-dimethyl-4-[[2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-1,3-dioxolane (CID 162603257) is (4R)-2,2-dimethyl-4-[[2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-1,3-dioxolane.
What is the SMILES notation for (4R)-2,2-dimethyl-4-[[2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-1,3-dioxolane?
The canonical SMILES for (4R)-2,2-dimethyl-4-[[2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-1,3-dioxolane is Cc1cc(C(C)(C)C(F)(F)F)ccc1OC[C@@H]1COC(C)(C)O1.
What is the InChIKey of (4R)-2,2-dimethyl-4-[[2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-1,3-dioxolane?
The InChIKey is MDHSCWXJWXZESS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23F3O3/c1-11-8-12(15(2,3)17(18,19)20)6-7-14(11)21-9-13-10-22-16(4,5)23-13/h6-8,13H,9-10H2,1-5H3/t13-/m1/s1.
What are the key properties of (4R)-2,2-dimethyl-4-[[2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-1,3-dioxolane?
(4R)-2,2-dimethyl-4-[[2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-1,3-dioxolane has a molecular weight of 332.36 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-4-[[2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]methyl]-1,3-dioxolane is sourced from PubChem (CID 162603257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).