6-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene

C14H13F3 — CID 137159213

IUPAC6-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC1=CC(=C2C=C(C(F)(F)F)C=CC2)C=C1C
InChIInChI=1S/C14H13F3/c1-9-6-12(7-10(9)2)11-4-3-5-13(8-11)14(15,16)17/h3,5-8H,4H2,1-2H3
InChIKeyCZWMKIVQOVTQNR-UHFFFAOYSA-N
MW238.25 g/mol
LogP4.64
Rot. Bonds

About 6-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene

6-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 137159213) has the molecular formula C14H13F3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name6-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID137159213
Molecular FormulaC14H13F3
Molecular Weight238.25 g/mol
Exact Mass238.10
IUPAC Name6-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC1=CC(=C2C=C(C(F)(F)F)C=CC2)C=C1C
InChIInChI=1S/C14H13F3/c1-9-6-12(7-10(9)2)11-4-3-5-13(8-11)14(15,16)17/h3,5-8H,4H2,1-2H3
InChIKeyCZWMKIVQOVTQNR-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-(4-methylphenyl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene
CID 143137585
7-methyl-5-(4-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]-1,4,7-triazabicyclo[4.2.0]octa-3,5-diene
CID 162601679
2-methyl-7-(trifluoromethyl)-6H-cyclohepta[b]thiophene
CID 155395501
5-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene
CID 91545932
2-propyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene
CID 143596428
5-methyl-2-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyridine
CID 134389528
azane;S-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]thiohydroxylamine
CID 166944543
1-methylcyclopropene;1-(trifluoromethyl)cyclopropene
CID 159098895
6-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene
CID 143436257
(6E)-6-(1-cyclopropylethylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 135816714
6-methoxy-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 146989399
1-methyl-4-nitro-3-(trifluoromethyl)cyclohepta-1,3,5-triene
CID 162571887

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 6-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene (CID 137159213) is 6-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 6-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 6-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene is CC1=CC(=C2C=C(C(F)(F)F)C=CC2)C=C1C.
What is the InChIKey of 6-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is CZWMKIVQOVTQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3/c1-9-6-12(7-10(9)2)11-4-3-5-13(8-11)14(15,16)17/h3,5-8H,4H2,1-2H3.
What are the key properties of 6-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene?
6-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 238.25 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 137159213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).