(Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal

C10H7F3O2 — CID 122129912

IUPAC(Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal
SMILESO=C/C=C\c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H7F3O2/c11-10(12,13)15-9-5-3-8(4-6-9)2-1-7-14/h1-7H/b2-1-
InChIKeyGGNLWQJCNHVNJG-UPHRSURJSA-N
MW216.16 g/mol
LogP2.80
Rot. Bonds3

About (Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal

(Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal (PubChem CID 122129912) has the molecular formula C10H7F3O2 and a molecular weight of 216.16 g/mol. Its IUPAC name is (Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal.

Molecular Properties

Compound Name(Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal
PubChem CID122129912
Molecular FormulaC10H7F3O2
Molecular Weight216.16 g/mol
Exact Mass216.04
IUPAC Name(Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal
SMILESO=C/C=C\c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H7F3O2/c11-10(12,13)15-9-5-3-8(4-6-9)2-1-7-14/h1-7H/b2-1-
InChIKeyGGNLWQJCNHVNJG-UPHRSURJSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
(E)-4-[4-(trifluoromethoxy)phenyl]but-3-enal
CID 87333465
4-[4-(trifluoromethoxy)phenyl]but-3-enal
CID 90952053
1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene
CID 138115533
1-[(Z)-prop-1-enyl]-4-(trifluoromethoxy)benzene
CID 153000469
4-[2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline
CID 72575162
4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline
CID 59838870
(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 735857
3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enal
CID 169459810
3-[2-bromo-4-(trifluoromethoxy)phenyl]prop-2-enal
CID 169460050
methyl 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzoate
CID 66707351
3-[4-[4-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 70242654

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal?
The IUPAC name of (Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal (CID 122129912) is (Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal.
What is the SMILES notation for (Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal?
The canonical SMILES for (Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal is O=C/C=C\c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal?
The InChIKey is GGNLWQJCNHVNJG-UPHRSURJSA-N. The full InChI is InChI=1S/C10H7F3O2/c11-10(12,13)15-9-5-3-8(4-6-9)2-1-7-14/h1-7H/b2-1-.
What are the key properties of (Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal?
(Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal has a molecular weight of 216.16 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal is sourced from PubChem (CID 122129912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).