2-phenyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one

C16H11F3O2 — CID 70481934

IUPAC2-phenyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
SMILESC=C(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H11F3O2/c1-11(12-5-3-2-4-6-12)15(20)13-7-9-14(10-8-13)21-16(17,18)19/h2-10H,1H2
InChIKeyKRSJNOFYGBSCKN-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.48
Rot. Bonds4

About 2-phenyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one

2-phenyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one (PubChem CID 70481934) has the molecular formula C16H11F3O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-phenyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name2-phenyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
PubChem CID70481934
Molecular FormulaC16H11F3O2
Molecular Weight292.26 g/mol
Exact Mass292.07
IUPAC Name2-phenyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
SMILESC=C(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H11F3O2/c1-11(12-5-3-2-4-6-12)15(20)13-7-9-14(10-8-13)21-16(17,18)19/h2-10H,1H2
InChIKeyKRSJNOFYGBSCKN-UHFFFAOYSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
CID 175394563
CID 175394563
(4-phenylphenyl) 4-(trifluoromethoxy)benzoate
CID 7926515
benzyl 4-(trifluoromethoxy)benzoate
CID 138483399
(2E,4E)-5-phenyl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dienoic acid
CID 87598874
trifluoromethoxybenzene
CID 157402708
CID 59303798
CID 59303798
phosphanyl-[4-(trifluoromethoxy)phenyl]methanone
CID 170761962
(2-oxo-1,2-diphenylethyl) 4-(trifluoromethoxy)benzoate
CID 4159962
3-methylidene-1-[4-(trifluoromethoxy)phenyl]pentan-1-one
CID 115781206
N'-phenyl-4-(trifluoromethoxy)benzohydrazide
CID 78774950
5-[4-(trifluoromethoxy)phenyl]hex-5-enoic acid
CID 135073601

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one?
The IUPAC name of 2-phenyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one (CID 70481934) is 2-phenyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one.
What is the SMILES notation for 2-phenyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one?
The canonical SMILES for 2-phenyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one is C=C(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one?
The InChIKey is KRSJNOFYGBSCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O2/c1-11(12-5-3-2-4-6-12)15(20)13-7-9-14(10-8-13)21-16(17,18)19/h2-10H,1H2.
What are the key properties of 2-phenyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one?
2-phenyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one has a molecular weight of 292.26 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one is sourced from PubChem (CID 70481934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).