3-(dimethylamino)-1-[2-phenyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one

C18H16F3NO — CID 175410196

IUPAC3-(dimethylamino)-1-[2-phenyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one
SMILESCN(C)C=CC(=O)c1cc(C(F)(F)F)ccc1-c1ccccc1
InChIInChI=1S/C18H16F3NO/c1-22(2)11-10-17(23)16-12-14(18(19,20)21)8-9-15(16)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyDQHKGAHLYSHVMI-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.63
Rot. Bonds4

About 3-(dimethylamino)-1-[2-phenyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one

3-(dimethylamino)-1-[2-phenyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one (PubChem CID 175410196) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[2-phenyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[2-phenyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one
PubChem CID175410196
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name3-(dimethylamino)-1-[2-phenyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one
SMILESCN(C)C=CC(=O)c1cc(C(F)(F)F)ccc1-c1ccccc1
InChIInChI=1S/C18H16F3NO/c1-22(2)11-10-17(23)16-12-14(18(19,20)21)8-9-15(16)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyDQHKGAHLYSHVMI-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.63
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

2-methyl-1-phenyl-4-(trifluoromethyl)benzene;sulfanol
CID 174961722
3-(dimethylamino)-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]prop-2-en-1-one
CID 2745740
N-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 177411899
3-[3-(dimethylamino)prop-2-enoyl]-2-methyl-5-phenylbenzoic acid
CID 174577075
2-ethyl-1-phenyl-4-(trifluoromethyl)benzene
CID 19702469
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride
CID 118851557
3-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid
CID 68949773
2-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid
CID 102755397
3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)prop-2-en-1-one
CID 2745542
(1E,6E)-1,7-bis(dimethylamino)-4-methyl-4-phenylhepta-1,6-diene-3,5-dione
CID 58704723
(E)-3-(dimethylamino)-1-(3-fluoro-2-hydroxyphenyl)prop-2-en-1-one
CID 11608167
2-phenyl-5-(trichloromethyl)benzoic acid
CID 23067879

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[2-phenyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-[2-phenyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one (CID 175410196) is 3-(dimethylamino)-1-[2-phenyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[2-phenyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[2-phenyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one is CN(C)C=CC(=O)c1cc(C(F)(F)F)ccc1-c1ccccc1.
What is the InChIKey of 3-(dimethylamino)-1-[2-phenyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one?
The InChIKey is DQHKGAHLYSHVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO/c1-22(2)11-10-17(23)16-12-14(18(19,20)21)8-9-15(16)13-6-4-3-5-7-13/h3-12H,1-2H3.
What are the key properties of 3-(dimethylamino)-1-[2-phenyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one?
3-(dimethylamino)-1-[2-phenyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one has a molecular weight of 319.33 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[2-phenyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one is sourced from PubChem (CID 175410196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).