2-(4-chlorocyclohexyl)acetyl chloride

C8H12Cl2O — CID 19428388

IUPAC2-(4-chlorocyclohexyl)acetyl chloride
SMILESO=C(Cl)CC1CCC(Cl)CC1
InChIInChI=1S/C8H12Cl2O/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7H,1-5H2
InChIKeyGDKPRYWTVAYWBT-UHFFFAOYSA-N
MW195.09 g/mol
LogP2.94
Rot. Bonds2

About 2-(4-chlorocyclohexyl)acetyl chloride

2-(4-chlorocyclohexyl)acetyl chloride (PubChem CID 19428388) has the molecular formula C8H12Cl2O and a molecular weight of 195.09 g/mol. Its IUPAC name is 2-(4-chlorocyclohexyl)acetyl chloride.

Molecular Properties

Compound Name2-(4-chlorocyclohexyl)acetyl chloride
PubChem CID19428388
Molecular FormulaC8H12Cl2O
Molecular Weight195.09 g/mol
Exact Mass194.03
IUPAC Name2-(4-chlorocyclohexyl)acetyl chloride
SMILESO=C(Cl)CC1CCC(Cl)CC1
InChIInChI=1S/C8H12Cl2O/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7H,1-5H2
InChIKeyGDKPRYWTVAYWBT-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.09
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloro-2-oxoethyl)cyclohexane-1-carbonyl chloride
CID 170407759
2-cyclobutylacetyl chloride
CID 14326266
[(1S,3R)-3-(2-chloro-2-oxoethyl)cyclopentyl] acetate
CID 127260731
2-(1-methylpiperidin-4-yl)acetyl chloride
CID 13282022
2-[4-(dimethylcarbamoylamino)cyclohexyl]acetyl chloride
CID 170985652
1-chloro-4-(cyclopropylmethyl)cyclohexane
CID 123424415
2-[3-(cyclooctylmethoxy)cyclodecyl]acetyl chloride
CID 155130954
(1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid
CID 146210075
2-(2,6-dioxopiperidin-4-yl)acetyl chloride
CID 15173726
cobalt(2+);bis(2-cyclopropylacetate)
CID 90200076
N-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine
CID 106121204
2-[3-(hydroxymethyl)cyclopentyl]acetic acid
CID 105430907

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorocyclohexyl)acetyl chloride?
The IUPAC name of 2-(4-chlorocyclohexyl)acetyl chloride (CID 19428388) is 2-(4-chlorocyclohexyl)acetyl chloride.
What is the SMILES notation for 2-(4-chlorocyclohexyl)acetyl chloride?
The canonical SMILES for 2-(4-chlorocyclohexyl)acetyl chloride is O=C(Cl)CC1CCC(Cl)CC1.
What is the InChIKey of 2-(4-chlorocyclohexyl)acetyl chloride?
The InChIKey is GDKPRYWTVAYWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2O/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7H,1-5H2.
What are the key properties of 2-(4-chlorocyclohexyl)acetyl chloride?
2-(4-chlorocyclohexyl)acetyl chloride has a molecular weight of 195.09 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorocyclohexyl)acetyl chloride is sourced from PubChem (CID 19428388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).