5-propyl-2-(trifluoromethyl)-1λ3-iodacyclohexa-2,4,6-triene

C9H10F3I — CID 143375475

IUPAC5-propyl-2-(trifluoromethyl)-1λ3-iodacyclohexa-2,4,6-triene
SMILESCCCC1=CC=C(C(F)(F)F)I=C1
InChIInChI=1S/C9H10F3I/c1-2-3-7-4-5-8(13-6-7)9(10,11)12/h4-6H,2-3H2,1H3
InChIKeyRRFQEPMUXFRIBS-UHFFFAOYSA-N
MW302.08 g/mol
LogP3.95
Rot. Bonds2

About 5-propyl-2-(trifluoromethyl)-1λ3-iodacyclohexa-2,4,6-triene

5-propyl-2-(trifluoromethyl)-1λ3-iodacyclohexa-2,4,6-triene (PubChem CID 143375475) has the molecular formula C9H10F3I and a molecular weight of 302.08 g/mol. Its IUPAC name is 5-propyl-2-(trifluoromethyl)-1λ3-iodacyclohexa-2,4,6-triene.

Molecular Properties

Compound Name5-propyl-2-(trifluoromethyl)-1λ3-iodacyclohexa-2,4,6-triene
PubChem CID143375475
Molecular FormulaC9H10F3I
Molecular Weight302.08 g/mol
Exact Mass301.98
IUPAC Name5-propyl-2-(trifluoromethyl)-1λ3-iodacyclohexa-2,4,6-triene
SMILESCCCC1=CC=C(C(F)(F)F)I=C1
InChIInChI=1S/C9H10F3I/c1-2-3-7-4-5-8(13-6-7)9(10,11)12/h4-6H,2-3H2,1H3
InChIKeyRRFQEPMUXFRIBS-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.08
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-propyl-2-(trifluoromethyl)-1λ3-iodacyclohexa-2,4,6-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-Dimethyl-4-(trifluoromethyl)cyclohexa-1,4-diene
CID 12717786
(Z)-1,1,1-trifluoro-4-iodooct-3-ene
CID 15416702
3-Methyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 18760372
5-Iodo-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 18767307
2-Methyl-1,3-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 18940346
1,5-Difluoro-2-propylcyclohexa-1,3-diene
CID 18989731
1-Methyl-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 19892255
2-Methyl-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 21612766
3-Ethyl-1,2-difluorocyclohexa-1,3-diene
CID 21664669
1-Ethyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 21708405
3-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-1-methylcyclohexa-1,3-diene
CID 21899894
1-Methyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 22171100

Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-(trifluoromethyl)-1λ3-iodacyclohexa-2,4,6-triene?
The IUPAC name of 5-propyl-2-(trifluoromethyl)-1λ3-iodacyclohexa-2,4,6-triene (CID 143375475) is 5-propyl-2-(trifluoromethyl)-1λ3-iodacyclohexa-2,4,6-triene.
What is the SMILES notation for 5-propyl-2-(trifluoromethyl)-1λ3-iodacyclohexa-2,4,6-triene?
The canonical SMILES for 5-propyl-2-(trifluoromethyl)-1λ3-iodacyclohexa-2,4,6-triene is CCCC1=CC=C(C(F)(F)F)I=C1.
What is the InChIKey of 5-propyl-2-(trifluoromethyl)-1λ3-iodacyclohexa-2,4,6-triene?
The InChIKey is RRFQEPMUXFRIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3I/c1-2-3-7-4-5-8(13-6-7)9(10,11)12/h4-6H,2-3H2,1H3.
What are the key properties of 5-propyl-2-(trifluoromethyl)-1λ3-iodacyclohexa-2,4,6-triene?
5-propyl-2-(trifluoromethyl)-1λ3-iodacyclohexa-2,4,6-triene has a molecular weight of 302.08 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-(trifluoromethyl)-1λ3-iodacyclohexa-2,4,6-triene is sourced from PubChem (CID 143375475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).