(2S)-2-(4-fluorophenyl)pent-4-enoyl chloride

C11H10ClFO — CID 15536025

IUPAC(2S)-2-(4-fluorophenyl)pent-4-enoyl chloride
SMILESC=CC[C@H](C(=O)Cl)c1ccc(F)cc1
InChIInChI=1S/C11H10ClFO/c1-2-3-10(11(12)14)8-4-6-9(13)7-5-8/h2,4-7,10H,1,3H2/t10-/m0/s1
InChIKeyDSYLFLZWMVUYJV-JTQLQIEISA-N
MW212.65 g/mol
LogP3.25
Rot. Bonds4

About (2S)-2-(4-fluorophenyl)pent-4-enoyl chloride

(2S)-2-(4-fluorophenyl)pent-4-enoyl chloride (PubChem CID 15536025) has the molecular formula C11H10ClFO and a molecular weight of 212.65 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)pent-4-enoyl chloride.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)pent-4-enoyl chloride
PubChem CID15536025
Molecular FormulaC11H10ClFO
Molecular Weight212.65 g/mol
Exact Mass212.04
IUPAC Name(2S)-2-(4-fluorophenyl)pent-4-enoyl chloride
SMILESC=CC[C@H](C(=O)Cl)c1ccc(F)cc1
InChIInChI=1S/C11H10ClFO/c1-2-3-10(11(12)14)8-4-6-9(13)7-5-8/h2,4-7,10H,1,3H2/t10-/m0/s1
InChIKeyDSYLFLZWMVUYJV-JTQLQIEISA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.65
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-fluorophenyl)pent-4-enamide
CID 101191870
(2S)-2-(4-chlorophenyl)pent-4-enoic acid
CID 11447156
4,6-diphenylnona-1,8-dien-5-one
CID 69419927
4-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631330
N-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide
CID 101454749
(2S)-2-(4-fluorophenyl)pent-4-enenitrile
CID 101191860
(2R)-2-(4-fluorophenyl)pent-4-enenitrile
CID 101191859
2-(4-fluorophenyl)-2-hydroxy-N-prop-2-enylacetamide
CID 82126666
(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
CID 124577541
3-amino-1-(4-fluorophenyl)hex-5-en-2-one
CID 116606869
(3S)-3-(4-fluorophenyl)pent-4-enoic acid
CID 124635167
1-[(E)-4-ethenylhex-4-en-3-yl]-4-fluorobenzene
CID 166983011

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)pent-4-enoyl chloride?
The IUPAC name of (2S)-2-(4-fluorophenyl)pent-4-enoyl chloride (CID 15536025) is (2S)-2-(4-fluorophenyl)pent-4-enoyl chloride.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)pent-4-enoyl chloride?
The canonical SMILES for (2S)-2-(4-fluorophenyl)pent-4-enoyl chloride is C=CC[C@H](C(=O)Cl)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)pent-4-enoyl chloride?
The InChIKey is DSYLFLZWMVUYJV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H10ClFO/c1-2-3-10(11(12)14)8-4-6-9(13)7-5-8/h2,4-7,10H,1,3H2/t10-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)pent-4-enoyl chloride?
(2S)-2-(4-fluorophenyl)pent-4-enoyl chloride has a molecular weight of 212.65 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)pent-4-enoyl chloride is sourced from PubChem (CID 15536025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).