5-methyl-2-propan-2-yl-5-propan-2-yloxy-6-(trifluoromethyl)cyclohexa-1,3-diene

C14H21F3O — CID 123641428

IUPAC5-methyl-2-propan-2-yl-5-propan-2-yloxy-6-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC(C)OC1(C)C=CC(C(C)C)=CC1C(F)(F)F
InChIInChI=1S/C14H21F3O/c1-9(2)11-6-7-13(5,18-10(3)4)12(8-11)14(15,16)17/h6-10,12H,1-5H3
InChIKeyRZOXSXNXDRCGMQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.50
Rot. Bonds3

About 5-methyl-2-propan-2-yl-5-propan-2-yloxy-6-(trifluoromethyl)cyclohexa-1,3-diene

5-methyl-2-propan-2-yl-5-propan-2-yloxy-6-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 123641428) has the molecular formula C14H21F3O and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-5-propan-2-yloxy-6-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-5-propan-2-yloxy-6-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID123641428
Molecular FormulaC14H21F3O
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name5-methyl-2-propan-2-yl-5-propan-2-yloxy-6-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC(C)OC1(C)C=CC(C(C)C)=CC1C(F)(F)F
InChIInChI=1S/C14H21F3O/c1-9(2)11-6-7-13(5,18-10(3)4)12(8-11)14(15,16)17/h6-10,12H,1-5H3
InChIKeyRZOXSXNXDRCGMQ-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran
CID 14898815
3-Trifluoromethyl-1-ethoxystyrene
CID 18469472
3-Trifluoromethyl-1-butoxystyrene
CID 18469473
5-Methyl-2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene
CID 68215925
5-Butoxy-6-fluoro-2-methylcyclohexa-1,3-diene
CID 68274748
5-Methoxy-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 70023583
5-Fluoro-2-(2-methylpropyl)-6-(trifluoromethoxy)cyclohexa-1,3-diene
CID 70299536
2-Propan-2-yl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 70831056
5-(2,2-Difluorocyclopropyl)oxy-2-(ethoxymethyl)cyclohexa-1,3-diene
CID 70837187
2,5,6-Trimethyl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 71018064
6-Fluoro-2-methyl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 88986443
2-Methyl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 88986472

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-5-propan-2-yloxy-6-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 5-methyl-2-propan-2-yl-5-propan-2-yloxy-6-(trifluoromethyl)cyclohexa-1,3-diene (CID 123641428) is 5-methyl-2-propan-2-yl-5-propan-2-yloxy-6-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-methyl-2-propan-2-yl-5-propan-2-yloxy-6-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-methyl-2-propan-2-yl-5-propan-2-yloxy-6-(trifluoromethyl)cyclohexa-1,3-diene is CC(C)OC1(C)C=CC(C(C)C)=CC1C(F)(F)F.
What is the InChIKey of 5-methyl-2-propan-2-yl-5-propan-2-yloxy-6-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is RZOXSXNXDRCGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3O/c1-9(2)11-6-7-13(5,18-10(3)4)12(8-11)14(15,16)17/h6-10,12H,1-5H3.
What are the key properties of 5-methyl-2-propan-2-yl-5-propan-2-yloxy-6-(trifluoromethyl)cyclohexa-1,3-diene?
5-methyl-2-propan-2-yl-5-propan-2-yloxy-6-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 262.31 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-5-propan-2-yloxy-6-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 123641428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).