(2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride

C11H12ClFO — CID 56635830

IUPAC(2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride
SMILESCC(C)[C@H](C(=O)Cl)c1ccc(F)cc1
InChIInChI=1S/C11H12ClFO/c1-7(2)10(11(12)14)8-3-5-9(13)6-4-8/h3-7,10H,1-2H3/t10-/m0/s1
InChIKeyADAMPYRODPJIDY-JTQLQIEISA-N
MW214.67 g/mol
LogP3.33
Rot. Bonds3

About (2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride

(2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride (PubChem CID 56635830) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride
PubChem CID56635830
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name(2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride
SMILESCC(C)[C@H](C(=O)Cl)c1ccc(F)cc1
InChIInChI=1S/C11H12ClFO/c1-7(2)10(11(12)14)8-3-5-9(13)6-4-8/h3-7,10H,1-2H3/t10-/m0/s1
InChIKeyADAMPYRODPJIDY-JTQLQIEISA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-(4-methylphenyl)butanoyl chloride
CID 14359807
(2R)-2-(4-fluorophenyl)-3-methylbutanoic acid
CID 10888841
2-(4-bromophenyl)-3-methylbutanoyl chloride
CID 23465342
2-(4-fluorophenyl)-3-methyl-N-propylbutanamide
CID 110316805
N-butyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316809
[4-(4-fluorobenzoyl)phenyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7931102
N-cyclopentyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316813
3-methyl-2-(3-methylphenyl)butanoyl chloride
CID 23465341
N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide
CID 110312950
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
(2S,3R)-4,4,4-trifluoro-3-methyl-2-(4-propan-2-ylphenyl)butanoyl chloride
CID 58288347
1,1-bis(4-fluorophenyl)-3-methylbutan-2-one
CID 58378623

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride?
The IUPAC name of (2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride (CID 56635830) is (2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride is CC(C)[C@H](C(=O)Cl)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride?
The InChIKey is ADAMPYRODPJIDY-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12ClFO/c1-7(2)10(11(12)14)8-3-5-9(13)6-4-8/h3-7,10H,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride?
(2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride has a molecular weight of 214.67 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride is sourced from PubChem (CID 56635830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).