2-(trifluoromethyl)pent-4-enal

C6H7F3O — CID 141152081

IUPAC2-(trifluoromethyl)pent-4-enal
SMILESC=CCC(C=O)C(F)(F)F
InChIInChI=1S/C6H7F3O/c1-2-3-5(4-10)6(7,8)9/h2,4-5H,1,3H2
InChIKeyMYJNAUOALYVXPS-UHFFFAOYSA-N
MW152.11 g/mol
LogP1.94
Rot. Bonds3

About 2-(trifluoromethyl)pent-4-enal

2-(trifluoromethyl)pent-4-enal (PubChem CID 141152081) has the molecular formula C6H7F3O and a molecular weight of 152.11 g/mol. Its IUPAC name is 2-(trifluoromethyl)pent-4-enal.

Molecular Properties

Compound Name2-(trifluoromethyl)pent-4-enal
PubChem CID141152081
Molecular FormulaC6H7F3O
Molecular Weight152.11 g/mol
Exact Mass152.04
IUPAC Name2-(trifluoromethyl)pent-4-enal
SMILESC=CCC(C=O)C(F)(F)F
InChIInChI=1S/C6H7F3O/c1-2-3-5(4-10)6(7,8)9/h2,4-5H,1,3H2
InChIKeyMYJNAUOALYVXPS-UHFFFAOYSA-N
XLogP1.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,5-Difluoropent-4-enal
CID 86214934
2,2-Difluoropent-4-enal
CID 23566279
2,2-Difluoro-3-methylpent-4-enal
CID 53751734
2-(Trifluoromethyl)but-3-enal
CID 87525568
(Z)-2-(trifluoromethyl)hept-4-enal
CID 143334240
(E)-2-ethenyl-5-(2,2,2-trifluoroethoxy)pent-4-enal
CID 144179674
2-(2,2,2-Trifluoroethyl)pent-4-enal
CID 149605706
5,6,6-Trifluorocyclohexa-2,4-diene-1-carbaldehyde
CID 150683511
6,6-Difluorocyclohexa-2,4-diene-1-carbaldehyde
CID 153973493
2-(Trifluoromethyl)hex-4-enal
CID 154175208
rel-(1R,3S)-2,2-Difluoro-3-vinylcyclopropane-1-carbaldehyde
CID 166560977
3-Ethenyl-3-fluoropent-4-enal
CID 168961586

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pent-4-enal?
The IUPAC name of 2-(trifluoromethyl)pent-4-enal (CID 141152081) is 2-(trifluoromethyl)pent-4-enal.
What is the SMILES notation for 2-(trifluoromethyl)pent-4-enal?
The canonical SMILES for 2-(trifluoromethyl)pent-4-enal is C=CCC(C=O)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)pent-4-enal?
The InChIKey is MYJNAUOALYVXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O/c1-2-3-5(4-10)6(7,8)9/h2,4-5H,1,3H2.
What are the key properties of 2-(trifluoromethyl)pent-4-enal?
2-(trifluoromethyl)pent-4-enal has a molecular weight of 152.11 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pent-4-enal is sourced from PubChem (CID 141152081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).