1,2,6-trimethyl-4-(trifluoromethyl)cyclohexa-1,3-diene

C10H13F3 — CID 162580612

IUPAC1,2,6-trimethyl-4-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC1=C(C)C(C)CC(C(F)(F)F)=C1
InChIInChI=1S/C10H13F3/c1-6-4-9(10(11,12)13)5-7(2)8(6)3/h4,7H,5H2,1-3H3
InChIKeyDNTVUGHXFQUXQV-UHFFFAOYSA-N
MW190.21 g/mol
LogP3.85
Rot. Bonds

About 1,2,6-trimethyl-4-(trifluoromethyl)cyclohexa-1,3-diene

1,2,6-trimethyl-4-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 162580612) has the molecular formula C10H13F3 and a molecular weight of 190.21 g/mol. Its IUPAC name is 1,2,6-trimethyl-4-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,6-trimethyl-4-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID162580612
Molecular FormulaC10H13F3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name1,2,6-trimethyl-4-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC1=C(C)C(C)CC(C(F)(F)F)=C1
InChIInChI=1S/C10H13F3/c1-6-4-9(10(11,12)13)5-7(2)8(6)3/h4,7H,5H2,1-3H3
InChIKeyDNTVUGHXFQUXQV-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethyl-4-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 1,2,6-trimethyl-4-(trifluoromethyl)cyclohexa-1,3-diene (CID 162580612) is 1,2,6-trimethyl-4-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1,2,6-trimethyl-4-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 1,2,6-trimethyl-4-(trifluoromethyl)cyclohexa-1,3-diene is CC1=C(C)C(C)CC(C(F)(F)F)=C1.
What is the InChIKey of 1,2,6-trimethyl-4-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is DNTVUGHXFQUXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3/c1-6-4-9(10(11,12)13)5-7(2)8(6)3/h4,7H,5H2,1-3H3.
What are the key properties of 1,2,6-trimethyl-4-(trifluoromethyl)cyclohexa-1,3-diene?
1,2,6-trimethyl-4-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 190.21 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trimethyl-4-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 162580612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).