3-chloro-1-propa-1,2-dienyl-5-(trifluoromethyl)cyclohexa-1,3-diene

C10H8ClF3 — CID 90951388

IUPAC3-chloro-1-propa-1,2-dienyl-5-(trifluoromethyl)cyclohexa-1,3-diene
SMILESC=C=CC1=CC(Cl)=CC(C(F)(F)F)C1
InChIInChI=1S/C10H8ClF3/c1-2-3-7-4-8(10(12,13)14)6-9(11)5-7/h3,5-6,8H,1,4H2
InChIKeyYLQPLFPHRLEQMB-UHFFFAOYSA-N
MW220.62 g/mol
LogP3.96
Rot. Bonds1

About 3-chloro-1-propa-1,2-dienyl-5-(trifluoromethyl)cyclohexa-1,3-diene

3-chloro-1-propa-1,2-dienyl-5-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 90951388) has the molecular formula C10H8ClF3 and a molecular weight of 220.62 g/mol. Its IUPAC name is 3-chloro-1-propa-1,2-dienyl-5-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name3-chloro-1-propa-1,2-dienyl-5-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID90951388
Molecular FormulaC10H8ClF3
Molecular Weight220.62 g/mol
Exact Mass220.03
IUPAC Name3-chloro-1-propa-1,2-dienyl-5-(trifluoromethyl)cyclohexa-1,3-diene
SMILESC=C=CC1=CC(Cl)=CC(C(F)(F)F)C1
InChIInChI=1S/C10H8ClF3/c1-2-3-7-4-8(10(12,13)14)6-9(11)5-7/h3,5-6,8H,1,4H2
InChIKeyYLQPLFPHRLEQMB-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.62
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-propa-1,2-dienyl-5-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 3-chloro-1-propa-1,2-dienyl-5-(trifluoromethyl)cyclohexa-1,3-diene (CID 90951388) is 3-chloro-1-propa-1,2-dienyl-5-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 3-chloro-1-propa-1,2-dienyl-5-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 3-chloro-1-propa-1,2-dienyl-5-(trifluoromethyl)cyclohexa-1,3-diene is C=C=CC1=CC(Cl)=CC(C(F)(F)F)C1.
What is the InChIKey of 3-chloro-1-propa-1,2-dienyl-5-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is YLQPLFPHRLEQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3/c1-2-3-7-4-8(10(12,13)14)6-9(11)5-7/h3,5-6,8H,1,4H2.
What are the key properties of 3-chloro-1-propa-1,2-dienyl-5-(trifluoromethyl)cyclohexa-1,3-diene?
3-chloro-1-propa-1,2-dienyl-5-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 220.62 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-propa-1,2-dienyl-5-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 90951388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).