[6-ethoxy-2-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methanone

C10H9F3O2 — CID 174378943

IUPAC[6-ethoxy-2-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methanone
SMILESCCOC1C=CC=C(C(F)(F)F)C1=C=O
InChIInChI=1S/C10H9F3O2/c1-2-15-9-5-3-4-8(7(9)6-14)10(11,12)13/h3-5,9H,2H2,1H3
InChIKeyRKAXVVIMWJOSBH-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.21
Rot. Bonds2

About [6-ethoxy-2-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methanone

[6-ethoxy-2-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methanone (PubChem CID 174378943) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is [6-ethoxy-2-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methanone.

Molecular Properties

Compound Name[6-ethoxy-2-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methanone
PubChem CID174378943
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name[6-ethoxy-2-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methanone
SMILESCCOC1C=CC=C(C(F)(F)F)C1=C=O
InChIInChI=1S/C10H9F3O2/c1-2-15-9-5-3-4-8(7(9)6-14)10(11,12)13/h3-5,9H,2H2,1H3
InChIKeyRKAXVVIMWJOSBH-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(2S,3S)-3-ethoxy-2-(hydroxymethyl)-4-(oxomethylidene)cyclobutan-1-one
CID 174405716
4-ethoxy-5-methylidenecyclopent-2-en-1-one
CID 130030515
5-ethoxycyclohexa-1,3-diene-1-carboxylic acid
CID 123208544
[2-ethoxy-1-[(4-fluorophenyl)methyl]-2H-indol-3-ylidene]methanone
CID 174453547
5-(4-bromophenyl)-4-ethoxy-3-(oxomethylidene)pyrrolidin-2-one
CID 176517711
2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 135818412
(5R)-5-ethoxypyrrolidin-2-one
CID 7098910
[5-ethoxy-4-fluoro-6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]boronic acid
CID 175272450
[6-ethoxy-5-(oxomethylidene)cyclohexa-1,3-dien-1-yl]oxyboronic acid
CID 174495512
(3R)-3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one
CID 102305750
2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 113439863
7-chloro-3-ethoxy-6-fluoro-1-methyl-2-(oxomethylidene)quinolin-4-one
CID 88774052

Frequently Asked Questions

What is the IUPAC name of [6-ethoxy-2-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methanone?
The IUPAC name of [6-ethoxy-2-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methanone (CID 174378943) is [6-ethoxy-2-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methanone.
What is the SMILES notation for [6-ethoxy-2-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methanone?
The canonical SMILES for [6-ethoxy-2-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methanone is CCOC1C=CC=C(C(F)(F)F)C1=C=O.
What is the InChIKey of [6-ethoxy-2-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methanone?
The InChIKey is RKAXVVIMWJOSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-2-15-9-5-3-4-8(7(9)6-14)10(11,12)13/h3-5,9H,2H2,1H3.
What are the key properties of [6-ethoxy-2-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methanone?
[6-ethoxy-2-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methanone has a molecular weight of 218.17 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethoxy-2-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methanone is sourced from PubChem (CID 174378943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).