(E)-4-(4-fluorophenyl)hex-4-en-3-one

C12H13FO — CID 154714595

IUPAC(E)-4-(4-fluorophenyl)hex-4-en-3-one
SMILESC/C=C(/C(=O)CC)c1ccc(F)cc1
InChIInChI=1S/C12H13FO/c1-3-11(12(14)4-2)9-5-7-10(13)8-6-9/h3,5-8H,4H2,1-2H3/b11-3+
InChIKeyWDSLWGLTPZMXSM-QDEBKDIKSA-N
MW192.23 g/mol
LogP3.21
Rot. Bonds3

About (E)-4-(4-fluorophenyl)hex-4-en-3-one

(E)-4-(4-fluorophenyl)hex-4-en-3-one (PubChem CID 154714595) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is (E)-4-(4-fluorophenyl)hex-4-en-3-one.

Molecular Properties

Compound Name(E)-4-(4-fluorophenyl)hex-4-en-3-one
PubChem CID154714595
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name(E)-4-(4-fluorophenyl)hex-4-en-3-one
SMILESC/C=C(/C(=O)CC)c1ccc(F)cc1
InChIInChI=1S/C12H13FO/c1-3-11(12(14)4-2)9-5-7-10(13)8-6-9/h3,5-8H,4H2,1-2H3/b11-3+
InChIKeyWDSLWGLTPZMXSM-QDEBKDIKSA-N
XLogP3.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-1-(4-fluorophenyl)butan-1-one
CID 6940476
2-(4-fluorophenyl)-3-hydroxyprop-2-enoic acid
CID 70352167
(E)-1-(4-fluorophenyl)pent-2-en-1-one
CID 19551234
2-(4-fluorophenyl)-4-oxopent-2-enoic acid
CID 142782295
methyl (Z)-2-(4-fluorophenyl)-3-hydroxyprop-2-enoate
CID 67828382
[(2S)-1-(4-fluorophenyl)-1-oxobutan-2-yl]azanium
CID 6940475
(4-fluorophenyl)-triethylgermylmethanone
CID 13109997
[2-(4-fluorophenyl)-3-hydroxyprop-2-enoyl]azanium
CID 163849834
1-(4-fluorophenyl)-2-nitrobutan-1-one
CID 11665643
1-(4-fluorophenyl)ethanone;methanol
CID 160697688
copper bis(4-fluorobenzoate)
CID 70452334
2-chloro-1-(4-fluorophenyl)butan-1-one
CID 15459067

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-fluorophenyl)hex-4-en-3-one?
The IUPAC name of (E)-4-(4-fluorophenyl)hex-4-en-3-one (CID 154714595) is (E)-4-(4-fluorophenyl)hex-4-en-3-one.
What is the SMILES notation for (E)-4-(4-fluorophenyl)hex-4-en-3-one?
The canonical SMILES for (E)-4-(4-fluorophenyl)hex-4-en-3-one is C/C=C(/C(=O)CC)c1ccc(F)cc1.
What is the InChIKey of (E)-4-(4-fluorophenyl)hex-4-en-3-one?
The InChIKey is WDSLWGLTPZMXSM-QDEBKDIKSA-N. The full InChI is InChI=1S/C12H13FO/c1-3-11(12(14)4-2)9-5-7-10(13)8-6-9/h3,5-8H,4H2,1-2H3/b11-3+.
What are the key properties of (E)-4-(4-fluorophenyl)hex-4-en-3-one?
(E)-4-(4-fluorophenyl)hex-4-en-3-one has a molecular weight of 192.23 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-fluorophenyl)hex-4-en-3-one is sourced from PubChem (CID 154714595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).