2-fluoro-2-quinolin-6-ylacetyl chloride;hydrochloride

C11H8Cl2FNO — CID 159246626

IUPAC2-fluoro-2-quinolin-6-ylacetyl chloride;hydrochloride
SMILESCl.O=C(Cl)C(F)c1ccc2ncccc2c1
InChIInChI=1S/C11H7ClFNO.ClH/c12-11(15)10(13)8-3-4-9-7(6-8)2-1-5-14-9;/h1-6,10H;1H
InChIKeyVGNDXSUDBYTVHO-UHFFFAOYSA-N
MW260.10 g/mol
LogP3.43
Rot. Bonds2

About 2-fluoro-2-quinolin-6-ylacetyl chloride;hydrochloride

2-fluoro-2-quinolin-6-ylacetyl chloride;hydrochloride (PubChem CID 159246626) has the molecular formula C11H8Cl2FNO and a molecular weight of 260.10 g/mol. Its IUPAC name is 2-fluoro-2-quinolin-6-ylacetyl chloride;hydrochloride.

Molecular Properties

Compound Name2-fluoro-2-quinolin-6-ylacetyl chloride;hydrochloride
PubChem CID159246626
Molecular FormulaC11H8Cl2FNO
Molecular Weight260.10 g/mol
Exact Mass259.00
IUPAC Name2-fluoro-2-quinolin-6-ylacetyl chloride;hydrochloride
SMILESCl.O=C(Cl)C(F)c1ccc2ncccc2c1
InChIInChI=1S/C11H7ClFNO.ClH/c12-11(15)10(13)8-3-4-9-7(6-8)2-1-5-14-9;/h1-6,10H;1H
InChIKeyVGNDXSUDBYTVHO-UHFFFAOYSA-N
XLogP3.43
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.10
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-1-quinolin-6-ylethanamine
CID 80604993
3-methyl-2-quinolin-6-ylbutanoic acid
CID 81224451
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
N-methylsulfonyl-2-quinolin-6-ylpropanamide
CID 167805827
2-[hydroxy(quinolin-6-yl)methyl]-3-methylbutanoic acid
CID 63973005
pyridin-4-yl(quinolin-6-yl)methanol
CID 81215658
2-quinolin-6-ylpropan-1-amine
CID 79002101
[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
CID 7016270
6-(1-nitrosoethyl)quinoline
CID 54028651
ethyl (2R)-2-quinolin-6-ylpropanoate
CID 86328869
4-amino-4-quinolin-6-ylbutanoic acid
CID 84693454

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-quinolin-6-ylacetyl chloride;hydrochloride?
The IUPAC name of 2-fluoro-2-quinolin-6-ylacetyl chloride;hydrochloride (CID 159246626) is 2-fluoro-2-quinolin-6-ylacetyl chloride;hydrochloride.
What is the SMILES notation for 2-fluoro-2-quinolin-6-ylacetyl chloride;hydrochloride?
The canonical SMILES for 2-fluoro-2-quinolin-6-ylacetyl chloride;hydrochloride is Cl.O=C(Cl)C(F)c1ccc2ncccc2c1.
What is the InChIKey of 2-fluoro-2-quinolin-6-ylacetyl chloride;hydrochloride?
The InChIKey is VGNDXSUDBYTVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO.ClH/c12-11(15)10(13)8-3-4-9-7(6-8)2-1-5-14-9;/h1-6,10H;1H.
What are the key properties of 2-fluoro-2-quinolin-6-ylacetyl chloride;hydrochloride?
2-fluoro-2-quinolin-6-ylacetyl chloride;hydrochloride has a molecular weight of 260.10 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-quinolin-6-ylacetyl chloride;hydrochloride is sourced from PubChem (CID 159246626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).