2-(dimethylamino)-1-(4-fluorophenyl)-2-prop-2-enylpent-4-en-1-one

C16H20FNO — CID 19049459

IUPAC2-(dimethylamino)-1-(4-fluorophenyl)-2-prop-2-enylpent-4-en-1-one
SMILESC=CCC(CC=C)(C(=O)c1ccc(F)cc1)N(C)C
InChIInChI=1S/C16H20FNO/c1-5-11-16(12-6-2,18(3)4)15(19)13-7-9-14(17)10-8-13/h5-10H,1-2,11-12H2,3-4H3
InChIKeyRTRDPUSYFCZKHZ-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.46
Rot. Bonds7

About 2-(dimethylamino)-1-(4-fluorophenyl)-2-prop-2-enylpent-4-en-1-one

2-(dimethylamino)-1-(4-fluorophenyl)-2-prop-2-enylpent-4-en-1-one (PubChem CID 19049459) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(4-fluorophenyl)-2-prop-2-enylpent-4-en-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-(4-fluorophenyl)-2-prop-2-enylpent-4-en-1-one
PubChem CID19049459
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name2-(dimethylamino)-1-(4-fluorophenyl)-2-prop-2-enylpent-4-en-1-one
SMILESC=CCC(CC=C)(C(=O)c1ccc(F)cc1)N(C)C
InChIInChI=1S/C16H20FNO/c1-5-11-16(12-6-2,18(3)4)15(19)13-7-9-14(17)10-8-13/h5-10H,1-2,11-12H2,3-4H3
InChIKeyRTRDPUSYFCZKHZ-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-2-(dimethylamino)-1-(4-fluorophenyl)butan-1-one;1,1-dichloroethane
CID 158663548
2-(dimethylamino)-1-[4-(2-hydroxyethylamino)phenyl]-2-methylpent-4-en-1-one
CID 59341468
1,2-bis(4-fluorophenyl)-2-methylpropan-1-one
CID 64757736
4-fluoro-N-methyl-N-pent-4-enylbenzamide
CID 115640348
2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 13113175
1-(4-fluorophenyl)-2-methylbut-3-en-1-one
CID 10954084
(4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone
CID 54007184
2-amino-2-ethyl-1-(4-fluorophenyl)butan-1-one
CID 116592648
ethenyl 4-fluorobenzoate
CID 54757351
[(2S)-1-(4-fluorophenyl)-1-oxobutan-2-yl]azanium
CID 6940475
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
2-ethylsulfanyl-2,2-difluoro-1-(4-fluorophenyl)ethanone
CID 10220288

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(4-fluorophenyl)-2-prop-2-enylpent-4-en-1-one?
The IUPAC name of 2-(dimethylamino)-1-(4-fluorophenyl)-2-prop-2-enylpent-4-en-1-one (CID 19049459) is 2-(dimethylamino)-1-(4-fluorophenyl)-2-prop-2-enylpent-4-en-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-(4-fluorophenyl)-2-prop-2-enylpent-4-en-1-one?
The canonical SMILES for 2-(dimethylamino)-1-(4-fluorophenyl)-2-prop-2-enylpent-4-en-1-one is C=CCC(CC=C)(C(=O)c1ccc(F)cc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(4-fluorophenyl)-2-prop-2-enylpent-4-en-1-one?
The InChIKey is RTRDPUSYFCZKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-5-11-16(12-6-2,18(3)4)15(19)13-7-9-14(17)10-8-13/h5-10H,1-2,11-12H2,3-4H3.
What are the key properties of 2-(dimethylamino)-1-(4-fluorophenyl)-2-prop-2-enylpent-4-en-1-one?
2-(dimethylamino)-1-(4-fluorophenyl)-2-prop-2-enylpent-4-en-1-one has a molecular weight of 261.34 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(4-fluorophenyl)-2-prop-2-enylpent-4-en-1-one is sourced from PubChem (CID 19049459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).