1-(2-chloro-6-fluorophenyl)cyclopropane-1-carbonyl chloride

C10H7Cl2FO — CID 83411957

IUPAC1-(2-chloro-6-fluorophenyl)cyclopropane-1-carbonyl chloride
SMILESO=C(Cl)C1(c2c(F)cccc2Cl)CC1
InChIInChI=1S/C10H7Cl2FO/c11-6-2-1-3-7(13)8(6)10(4-5-10)9(12)14/h1-3H,4-5H2
InChIKeyDAJVDVUKKCPBIC-UHFFFAOYSA-N
MW233.07 g/mol
LogP3.28
Rot. Bonds2

About 1-(2-chloro-6-fluorophenyl)cyclopropane-1-carbonyl chloride

1-(2-chloro-6-fluorophenyl)cyclopropane-1-carbonyl chloride (PubChem CID 83411957) has the molecular formula C10H7Cl2FO and a molecular weight of 233.07 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)cyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)cyclopropane-1-carbonyl chloride
PubChem CID83411957
Molecular FormulaC10H7Cl2FO
Molecular Weight233.07 g/mol
Exact Mass231.99
IUPAC Name1-(2-chloro-6-fluorophenyl)cyclopropane-1-carbonyl chloride
SMILESO=C(Cl)C1(c2c(F)cccc2Cl)CC1
InChIInChI=1S/C10H7Cl2FO/c11-6-2-1-3-7(13)8(6)10(4-5-10)9(12)14/h1-3H,4-5H2
InChIKeyDAJVDVUKKCPBIC-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.07
LogP ≤ 53.28
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 1-(2-chloro-6-fluorophenyl)cyclopropane-1-carbonyl chloride?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)cyclopropane-1-carbonyl chloride (CID 83411957) is 1-(2-chloro-6-fluorophenyl)cyclopropane-1-carbonyl chloride.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)cyclopropane-1-carbonyl chloride?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)cyclopropane-1-carbonyl chloride is O=C(Cl)C1(c2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)cyclopropane-1-carbonyl chloride?
The InChIKey is DAJVDVUKKCPBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FO/c11-6-2-1-3-7(13)8(6)10(4-5-10)9(12)14/h1-3H,4-5H2.
What are the key properties of 1-(2-chloro-6-fluorophenyl)cyclopropane-1-carbonyl chloride?
1-(2-chloro-6-fluorophenyl)cyclopropane-1-carbonyl chloride has a molecular weight of 233.07 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)cyclopropane-1-carbonyl chloride is sourced from PubChem (CID 83411957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).