1-fluoro-4-[(1R,2S)-2-phenyl-1-prop-2-enoxybut-3-enyl]benzene

C19H19FO — CID 132607653

IUPAC1-fluoro-4-[(1R,2S)-2-phenyl-1-prop-2-enoxybut-3-enyl]benzene
SMILESC=CCO[C@@H](c1ccc(F)cc1)[C@@H](C=C)c1ccccc1
InChIInChI=1S/C19H19FO/c1-3-14-21-19(16-10-12-17(20)13-11-16)18(4-2)15-8-6-5-7-9-15/h3-13,18-19H,1-2,14H2/t18-,19-/m0/s1
InChIKeyRFBAXMKRRVLQSW-OALUTQOASA-N
MW282.36 g/mol
LogP5.04
Rot. Bonds7

About 1-fluoro-4-[(1R,2S)-2-phenyl-1-prop-2-enoxybut-3-enyl]benzene

1-fluoro-4-[(1R,2S)-2-phenyl-1-prop-2-enoxybut-3-enyl]benzene (PubChem CID 132607653) has the molecular formula C19H19FO and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-fluoro-4-[(1R,2S)-2-phenyl-1-prop-2-enoxybut-3-enyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(1R,2S)-2-phenyl-1-prop-2-enoxybut-3-enyl]benzene
PubChem CID132607653
Molecular FormulaC19H19FO
Molecular Weight282.36 g/mol
Exact Mass282.14
IUPAC Name1-fluoro-4-[(1R,2S)-2-phenyl-1-prop-2-enoxybut-3-enyl]benzene
SMILESC=CCO[C@@H](c1ccc(F)cc1)[C@@H](C=C)c1ccccc1
InChIInChI=1S/C19H19FO/c1-3-14-21-19(16-10-12-17(20)13-11-16)18(4-2)15-8-6-5-7-9-15/h3-13,18-19H,1-2,14H2/t18-,19-/m0/s1
InChIKeyRFBAXMKRRVLQSW-OALUTQOASA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.36
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(1R,2S)-2-phenyl-1-prop-2-enoxybut-3-enyl]benzene?
The IUPAC name of 1-fluoro-4-[(1R,2S)-2-phenyl-1-prop-2-enoxybut-3-enyl]benzene (CID 132607653) is 1-fluoro-4-[(1R,2S)-2-phenyl-1-prop-2-enoxybut-3-enyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(1R,2S)-2-phenyl-1-prop-2-enoxybut-3-enyl]benzene?
The canonical SMILES for 1-fluoro-4-[(1R,2S)-2-phenyl-1-prop-2-enoxybut-3-enyl]benzene is C=CCO[C@@H](c1ccc(F)cc1)[C@@H](C=C)c1ccccc1.
What is the InChIKey of 1-fluoro-4-[(1R,2S)-2-phenyl-1-prop-2-enoxybut-3-enyl]benzene?
The InChIKey is RFBAXMKRRVLQSW-OALUTQOASA-N. The full InChI is InChI=1S/C19H19FO/c1-3-14-21-19(16-10-12-17(20)13-11-16)18(4-2)15-8-6-5-7-9-15/h3-13,18-19H,1-2,14H2/t18-,19-/m0/s1.
What are the key properties of 1-fluoro-4-[(1R,2S)-2-phenyl-1-prop-2-enoxybut-3-enyl]benzene?
1-fluoro-4-[(1R,2S)-2-phenyl-1-prop-2-enoxybut-3-enyl]benzene has a molecular weight of 282.36 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(1R,2S)-2-phenyl-1-prop-2-enoxybut-3-enyl]benzene is sourced from PubChem (CID 132607653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).