2-[2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentene-1-carbaldehyde

C15H13F3O — CID 142575112

IUPAC2-[2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentene-1-carbaldehyde
SMILESO=CC1=C(C=Cc2ccc(C(F)(F)F)cc2)CCC1
InChIInChI=1S/C15H13F3O/c16-15(17,18)14-8-5-11(6-9-14)4-7-12-2-1-3-13(12)10-19/h4-10H,1-3H2
InChIKeyMJQWQGAFLXGVGI-UHFFFAOYSA-N
MW266.26 g/mol
LogP4.40
Rot. Bonds3

About 2-[2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentene-1-carbaldehyde

2-[2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentene-1-carbaldehyde (PubChem CID 142575112) has the molecular formula C15H13F3O and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentene-1-carbaldehyde.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentene-1-carbaldehyde
PubChem CID142575112
Molecular FormulaC15H13F3O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name2-[2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentene-1-carbaldehyde
SMILESO=CC1=C(C=Cc2ccc(C(F)(F)F)cc2)CCC1
InChIInChI=1S/C15H13F3O/c16-15(17,18)14-8-5-11(6-9-14)4-7-12-2-1-3-13(12)10-19/h4-10H,1-3H2
InChIKeyMJQWQGAFLXGVGI-UHFFFAOYSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 53329765
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221378
5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122475774
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde
CID 129101740
1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 76576198
1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene
CID 22975197
1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene
CID 11148298
triethyl-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane
CID 12996059
diethyl 3-methyl-4-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopent-3-ene-1,1-dicarboxylate
CID 102473367
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxirane
CID 59001960

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentene-1-carbaldehyde?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentene-1-carbaldehyde (CID 142575112) is 2-[2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentene-1-carbaldehyde.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentene-1-carbaldehyde?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentene-1-carbaldehyde is O=CC1=C(C=Cc2ccc(C(F)(F)F)cc2)CCC1.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentene-1-carbaldehyde?
The InChIKey is MJQWQGAFLXGVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O/c16-15(17,18)14-8-5-11(6-9-14)4-7-12-2-1-3-13(12)10-19/h4-10H,1-3H2.
What are the key properties of 2-[2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentene-1-carbaldehyde?
2-[2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentene-1-carbaldehyde has a molecular weight of 266.26 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentene-1-carbaldehyde is sourced from PubChem (CID 142575112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).