(Z)-1-[4-(dimethylamino)phenyl]-2-fluoro-3-(4-methylphenyl)prop-2-en-1-one

C18H18FNO — CID 102204906

IUPAC(Z)-1-[4-(dimethylamino)phenyl]-2-fluoro-3-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(/C=C(\F)C(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H18FNO/c1-13-4-6-14(7-5-13)12-17(19)18(21)15-8-10-16(11-9-15)20(2)3/h4-12H,1-3H3/b17-12-
InChIKeyQWDALPYWRCHRRO-ATVHPVEESA-N
MW283.35 g/mol
LogP4.25
Rot. Bonds4

About (Z)-1-[4-(dimethylamino)phenyl]-2-fluoro-3-(4-methylphenyl)prop-2-en-1-one

(Z)-1-[4-(dimethylamino)phenyl]-2-fluoro-3-(4-methylphenyl)prop-2-en-1-one (PubChem CID 102204906) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (Z)-1-[4-(dimethylamino)phenyl]-2-fluoro-3-(4-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-[4-(dimethylamino)phenyl]-2-fluoro-3-(4-methylphenyl)prop-2-en-1-one
PubChem CID102204906
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(Z)-1-[4-(dimethylamino)phenyl]-2-fluoro-3-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(/C=C(\F)C(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H18FNO/c1-13-4-6-14(7-5-13)12-17(19)18(21)15-8-10-16(11-9-15)20(2)3/h4-12H,1-3H3/b17-12-
InChIKeyQWDALPYWRCHRRO-ATVHPVEESA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-fluoro-1,3-bis(4-methylphenyl)prop-2-en-1-one
CID 102132917
(Z)-3-(4-chlorophenyl)-2-fluoro-1-(4-methylphenyl)prop-2-en-1-one
CID 102132918
2-fluoro-3-(4-methylphenyl)prop-2-enoic acid
CID 54302276
(E)-2-(4-methylbenzoyl)-3-(4-methylphenyl)prop-2-enenitrile
CID 12735895
(Z)-2-(4-methylbenzoyl)-3-(4-methylphenyl)prop-2-enenitrile
CID 44725770
(E)-2-benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
CID 5388631
(E)-3-[4-(dimethylamino)phenyl]-2-(4-methoxybenzoyl)prop-2-enenitrile
CID 8685083
4-(dimethylamino)benzoyl fluoride;ethane
CID 90963385
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 37216672
(E)-2-(4-fluorobenzoyl)-3-(4-methylphenyl)prop-2-enenitrile
CID 9337914
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856
(Z)-3-chloro-4-[4-(dimethylamino)phenyl]but-3-en-2-one
CID 121015192

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-(dimethylamino)phenyl]-2-fluoro-3-(4-methylphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-1-[4-(dimethylamino)phenyl]-2-fluoro-3-(4-methylphenyl)prop-2-en-1-one (CID 102204906) is (Z)-1-[4-(dimethylamino)phenyl]-2-fluoro-3-(4-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-[4-(dimethylamino)phenyl]-2-fluoro-3-(4-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-1-[4-(dimethylamino)phenyl]-2-fluoro-3-(4-methylphenyl)prop-2-en-1-one is Cc1ccc(/C=C(\F)C(=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of (Z)-1-[4-(dimethylamino)phenyl]-2-fluoro-3-(4-methylphenyl)prop-2-en-1-one?
The InChIKey is QWDALPYWRCHRRO-ATVHPVEESA-N. The full InChI is InChI=1S/C18H18FNO/c1-13-4-6-14(7-5-13)12-17(19)18(21)15-8-10-16(11-9-15)20(2)3/h4-12H,1-3H3/b17-12-.
What are the key properties of (Z)-1-[4-(dimethylamino)phenyl]-2-fluoro-3-(4-methylphenyl)prop-2-en-1-one?
(Z)-1-[4-(dimethylamino)phenyl]-2-fluoro-3-(4-methylphenyl)prop-2-en-1-one has a molecular weight of 283.35 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-(dimethylamino)phenyl]-2-fluoro-3-(4-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 102204906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).