1-(4-ethenyl-3-methoxyphenyl)-4-fluoro-2-(methylamino)butan-1-one

C14H18FNO2 — CID 168924079

IUPAC1-(4-ethenyl-3-methoxyphenyl)-4-fluoro-2-(methylamino)butan-1-one
SMILESC=Cc1ccc(C(=O)C(CCF)NC)cc1OC
InChIInChI=1S/C14H18FNO2/c1-4-10-5-6-11(9-13(10)18-3)14(17)12(16-2)7-8-15/h4-6,9,12,16H,1,7-8H2,2-3H3
InChIKeyVVJOEHXZICJLBZ-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.47
Rot. Bonds7

About 1-(4-ethenyl-3-methoxyphenyl)-4-fluoro-2-(methylamino)butan-1-one

1-(4-ethenyl-3-methoxyphenyl)-4-fluoro-2-(methylamino)butan-1-one (PubChem CID 168924079) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(4-ethenyl-3-methoxyphenyl)-4-fluoro-2-(methylamino)butan-1-one.

Molecular Properties

Compound Name1-(4-ethenyl-3-methoxyphenyl)-4-fluoro-2-(methylamino)butan-1-one
PubChem CID168924079
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-(4-ethenyl-3-methoxyphenyl)-4-fluoro-2-(methylamino)butan-1-one
SMILESC=Cc1ccc(C(=O)C(CCF)NC)cc1OC
InChIInChI=1S/C14H18FNO2/c1-4-10-5-6-11(9-13(10)18-3)14(17)12(16-2)7-8-15/h4-6,9,12,16H,1,7-8H2,2-3H3
InChIKeyVVJOEHXZICJLBZ-UHFFFAOYSA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1,2-bis(3,4-dimethoxyphenyl)pent-4-en-1-one
CID 10871981
1,2-bis(3,4-dimethoxyphenyl)pent-4-en-1-one
CID 11035669
3-ethenyl-4-methoxy-N-(2-methylpropyl)benzamide
CID 176508222
4-amino-1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-one
CID 116594998
1-ethenyl-2-methoxy-4-propan-2-ylbenzene
CID 67419573
ethane;N-[(E)-3-(4-ethenyl-3-methoxyphenyl)-1-(2-fluorophenyl)pent-3-enyl]-N-methylacetamide
CID 143656559
1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826719
4-ethenyl-3-propan-2-yloxybenzoyl chloride
CID 87786488
(2S)-1-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pent-4-en-1-one
CID 100985396
1,9-bis(4-fluorophenyl)-2,8-bis(methylamino)nonane-1,9-dione
CID 68636214
1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine
CID 168924254
2-methoxy-4-(2-methoxybenzoyl)benzaldehyde
CID 10825897

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenyl-3-methoxyphenyl)-4-fluoro-2-(methylamino)butan-1-one?
The IUPAC name of 1-(4-ethenyl-3-methoxyphenyl)-4-fluoro-2-(methylamino)butan-1-one (CID 168924079) is 1-(4-ethenyl-3-methoxyphenyl)-4-fluoro-2-(methylamino)butan-1-one.
What is the SMILES notation for 1-(4-ethenyl-3-methoxyphenyl)-4-fluoro-2-(methylamino)butan-1-one?
The canonical SMILES for 1-(4-ethenyl-3-methoxyphenyl)-4-fluoro-2-(methylamino)butan-1-one is C=Cc1ccc(C(=O)C(CCF)NC)cc1OC.
What is the InChIKey of 1-(4-ethenyl-3-methoxyphenyl)-4-fluoro-2-(methylamino)butan-1-one?
The InChIKey is VVJOEHXZICJLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-4-10-5-6-11(9-13(10)18-3)14(17)12(16-2)7-8-15/h4-6,9,12,16H,1,7-8H2,2-3H3.
What are the key properties of 1-(4-ethenyl-3-methoxyphenyl)-4-fluoro-2-(methylamino)butan-1-one?
1-(4-ethenyl-3-methoxyphenyl)-4-fluoro-2-(methylamino)butan-1-one has a molecular weight of 251.30 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenyl-3-methoxyphenyl)-4-fluoro-2-(methylamino)butan-1-one is sourced from PubChem (CID 168924079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).