(2R)-2-(4-fluorophenyl)-2,5,5-trimethylhexanoyl chloride

C15H20ClFO — CID 87607227

IUPAC(2R)-2-(4-fluorophenyl)-2,5,5-trimethylhexanoyl chloride
SMILESCC(C)(C)CC[C@@](C)(C(=O)Cl)c1ccc(F)cc1
InChIInChI=1S/C15H20ClFO/c1-14(2,3)9-10-15(4,13(16)18)11-5-7-12(17)8-6-11/h5-8H,9-10H2,1-4H3/t15-/m1/s1
InChIKeyHHHAQRBVPPZUHK-OAHLLOKOSA-N
MW270.78 g/mol
LogP4.68
Rot. Bonds4

About (2R)-2-(4-fluorophenyl)-2,5,5-trimethylhexanoyl chloride

(2R)-2-(4-fluorophenyl)-2,5,5-trimethylhexanoyl chloride (PubChem CID 87607227) has the molecular formula C15H20ClFO and a molecular weight of 270.78 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-2,5,5-trimethylhexanoyl chloride.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-2,5,5-trimethylhexanoyl chloride
PubChem CID87607227
Molecular FormulaC15H20ClFO
Molecular Weight270.78 g/mol
Exact Mass270.12
IUPAC Name(2R)-2-(4-fluorophenyl)-2,5,5-trimethylhexanoyl chloride
SMILESCC(C)(C)CC[C@@](C)(C(=O)Cl)c1ccc(F)cc1
InChIInChI=1S/C15H20ClFO/c1-14(2,3)9-10-15(4,13(16)18)11-5-7-12(17)8-6-11/h5-8H,9-10H2,1-4H3/t15-/m1/s1
InChIKeyHHHAQRBVPPZUHK-OAHLLOKOSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-2,5,5-trimethylhexanoyl chloride?
The IUPAC name of (2R)-2-(4-fluorophenyl)-2,5,5-trimethylhexanoyl chloride (CID 87607227) is (2R)-2-(4-fluorophenyl)-2,5,5-trimethylhexanoyl chloride.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-2,5,5-trimethylhexanoyl chloride?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-2,5,5-trimethylhexanoyl chloride is CC(C)(C)CC[C@@](C)(C(=O)Cl)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-2,5,5-trimethylhexanoyl chloride?
The InChIKey is HHHAQRBVPPZUHK-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20ClFO/c1-14(2,3)9-10-15(4,13(16)18)11-5-7-12(17)8-6-11/h5-8H,9-10H2,1-4H3/t15-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-2,5,5-trimethylhexanoyl chloride?
(2R)-2-(4-fluorophenyl)-2,5,5-trimethylhexanoyl chloride has a molecular weight of 270.78 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-2,5,5-trimethylhexanoyl chloride is sourced from PubChem (CID 87607227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).