1-ethyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene;formamide

C16H20F3NO — CID 142335260

IUPAC1-ethyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene;formamide
SMILESCCC1=C(C2C=CC=CC2C(F)(F)F)C=CCC1.NC=O
InChIInChI=1S/C15H17F3.CH3NO/c1-2-11-7-3-4-8-12(11)13-9-5-6-10-14(13)15(16,17)18;2-1-3/h4-6,8-10,13-14H,2-3,7H2,1H3;1H,(H2,2,3)
InChIKeyIZLCQUFGCCUKRE-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.07
Rot. Bonds2

About 1-ethyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene;formamide

1-ethyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene;formamide (PubChem CID 142335260) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is 1-ethyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene;formamide.

Molecular Properties

Compound Name1-ethyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene;formamide
PubChem CID142335260
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name1-ethyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene;formamide
SMILESCCC1=C(C2C=CC=CC2C(F)(F)F)C=CCC1.NC=O
InChIInChI=1S/C15H17F3.CH3NO/c1-2-11-7-3-4-8-12(11)13-9-5-6-10-14(13)15(16,17)18;2-1-3/h4-6,8-10,13-14H,2-3,7H2,1H3;1H,(H2,2,3)
InChIKeyIZLCQUFGCCUKRE-UHFFFAOYSA-N
XLogP4.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide
CID 142335255
2-ethylcyclohexa-1,5-dien-1-amine
CID 143824141
1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium
CID 178170510
6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 23505215
2-chloro-1-ethylcyclohexa-1,3-diene
CID 66608212
2-(difluoromethyl)-1-ethylcyclohexa-1,3-diene
CID 178056899
2-butan-2-yl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 143473757
1-ethyl-5,6-dihydroisoquinoline
CID 174496014
4-ethyl-1,2-dimethyl-3-[(Z)-prop-1-enyl]-1,2,5,6-tetrahydronaphthalene
CID 143477485
6-methyl-2-(trifluoromethyl)cyclohex-3-en-1-amine
CID 167159729
2-ethyl-1-fluorocyclohexa-1,3-diene
CID 19009785
(2-ethylcyclohexa-1,5-dien-1-yl)sulfonylbenzene
CID 68911382

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene;formamide?
The IUPAC name of 1-ethyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene;formamide (CID 142335260) is 1-ethyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene;formamide.
What is the SMILES notation for 1-ethyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene;formamide?
The canonical SMILES for 1-ethyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene;formamide is CCC1=C(C2C=CC=CC2C(F)(F)F)C=CCC1.NC=O.
What is the InChIKey of 1-ethyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene;formamide?
The InChIKey is IZLCQUFGCCUKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3.CH3NO/c1-2-11-7-3-4-8-12(11)13-9-5-6-10-14(13)15(16,17)18;2-1-3/h4-6,8-10,13-14H,2-3,7H2,1H3;1H,(H2,2,3).
What are the key properties of 1-ethyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene;formamide?
1-ethyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene;formamide has a molecular weight of 299.34 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene;formamide is sourced from PubChem (CID 142335260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).