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

C10H7F3O2 — CID 2760760

IUPAC(Z)-3-hydroxy-2-[4-(trifluoromethyl)phenyl]prop-2-enal
SMILESO=C/C(=C\O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H7F3O2/c11-10(12,13)9-3-1-7(2-4-9)8(5-14)6-15/h1-6,14H/b8-5+
InChIKeyLDIAKIDUWZWYCA-VMPITWQZSA-N
MW216.16 g/mol
LogP2.80
Rot. Bonds2

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

(Z)-3-hydroxy-2-[4-(trifluoromethyl)phenyl]prop-2-enal (PubChem CID 2760760) has the molecular formula C10H7F3O2 and a molecular weight of 216.16 g/mol. Its IUPAC name is (Z)-3-hydroxy-2-[4-(trifluoromethyl)phenyl]prop-2-enal.

Molecular Properties

Compound Name(Z)-3-hydroxy-2-[4-(trifluoromethyl)phenyl]prop-2-enal
PubChem CID2760760
Molecular FormulaC10H7F3O2
Molecular Weight216.16 g/mol
Exact Mass216.04
IUPAC Name(Z)-3-hydroxy-2-[4-(trifluoromethyl)phenyl]prop-2-enal
SMILESO=C/C(=C\O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H7F3O2/c11-10(12,13)9-3-1-7(2-4-9)8(5-14)6-15/h1-6,14H/b8-5+
InChIKeyLDIAKIDUWZWYCA-VMPITWQZSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-hydroxy-2-[4-(trifluoromethyl)phenyl]prop-2-enal
CID 2778980
[4-(trifluoromethyl)benzoyl]azanium
CID 153171776
3-[4-(trifluoromethyl)phenyl]but-2-enal
CID 54172947
1-[(3E)-hexa-1,3,5-trien-3-yl]-4-(trifluoromethyl)benzene
CID 59194469
3-oxo-3-[4-(trifluoromethyl)phenyl]propanal
CID 43114751
4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoic acid
CID 151091518
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
1-(1,2-dibromoethenyl)-4-(trifluoromethyl)benzene
CID 175317835
2,2-difluoro-2-[4-(trifluoromethyl)phenoxy]acetaldehyde
CID 174144064
1-[(1E,3E)-1-ethenyl-4-[4-(trifluoromethyl)phenyl]penta-1,3-dienyl]-4-(trifluoromethyl)benzene
CID 145152074
2-methyl-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 19878430
1-[4-(trifluoromethyl)phenyl]-2-(trifluoromethylsulfanyl)ethanone
CID 122399699

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-2-[4-(trifluoromethyl)phenyl]prop-2-enal?
The IUPAC name of (Z)-3-hydroxy-2-[4-(trifluoromethyl)phenyl]prop-2-enal (CID 2760760) is (Z)-3-hydroxy-2-[4-(trifluoromethyl)phenyl]prop-2-enal.
What is the SMILES notation for (Z)-3-hydroxy-2-[4-(trifluoromethyl)phenyl]prop-2-enal?
The canonical SMILES for (Z)-3-hydroxy-2-[4-(trifluoromethyl)phenyl]prop-2-enal is O=C/C(=C\O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (Z)-3-hydroxy-2-[4-(trifluoromethyl)phenyl]prop-2-enal?
The InChIKey is LDIAKIDUWZWYCA-VMPITWQZSA-N. The full InChI is InChI=1S/C10H7F3O2/c11-10(12,13)9-3-1-7(2-4-9)8(5-14)6-15/h1-6,14H/b8-5+.
What are the key properties of (Z)-3-hydroxy-2-[4-(trifluoromethyl)phenyl]prop-2-enal?
(Z)-3-hydroxy-2-[4-(trifluoromethyl)phenyl]prop-2-enal has a molecular weight of 216.16 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-2-[4-(trifluoromethyl)phenyl]prop-2-enal is sourced from PubChem (CID 2760760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).