2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride

C10H4Cl5FO — CID 150564885

IUPAC2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride
SMILESO=C(Cl)C1C(c2cc(Cl)c(F)c(Cl)c2)C1(Cl)Cl
InChIInChI=1S/C10H4Cl5FO/c11-4-1-3(2-5(12)8(4)16)6-7(9(13)17)10(6,14)15/h1-2,6-7H
InChIKeyIKPWKVFYNPZQSP-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.79
Rot. Bonds2

About 2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride

2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride (PubChem CID 150564885) has the molecular formula C10H4Cl5FO and a molecular weight of 336.40 g/mol. Its IUPAC name is 2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride
PubChem CID150564885
Molecular FormulaC10H4Cl5FO
Molecular Weight336.40 g/mol
Exact Mass333.87
IUPAC Name2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride
SMILESO=C(Cl)C1C(c2cc(Cl)c(F)c(Cl)c2)C1(Cl)Cl
InChIInChI=1S/C10H4Cl5FO/c11-4-1-3(2-5(12)8(4)16)6-7(9(13)17)10(6,14)15/h1-2,6-7H
InChIKeyIKPWKVFYNPZQSP-UHFFFAOYSA-N
XLogP4.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.79
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'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-Fluoro-6-chlorophenyl)cyclopropane-1-carbonyl chloride
CID 83411957
2-(3-Chlorophenyl)propanoyl chloride
CID 11651355
(1R,2R)-2-(3,4-difluorophenyl)-1-cyclopropanecarbonyl chloride
CID 9813209
rac-(1R,2R)-2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride
CID 10798043
2,6-Dichloro-4-(trifluoromethyl)phenylacetyl chloride
CID 15682130
2-(3,4-Difluorophenyl)cyclopropane-1-carbonyl chloride
CID 21923969
2-(4-Fluorophenyl)cyclopropane-1-carbonyl chloride
CID 45081780
3-(3,5-Dichlorophenyl)-4,4,4-trifluorobutan-2-one
CID 71133679
2-(3-Chloro-4-fluorophenyl)cyclopropane-1-carbaldehyde
CID 87370613
trans-(1R,2R)-2-(2,4-difluorophenyl)cyclopropane-1-carbonyl chloride
CID 117693807
2,2-Dichloro-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carbaldehyde
CID 122615212
cis-(1S,3S)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carbaldehyde
CID 122615213

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride?
The IUPAC name of 2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride (CID 150564885) is 2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride.
What is the SMILES notation for 2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride?
The canonical SMILES for 2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride is O=C(Cl)C1C(c2cc(Cl)c(F)c(Cl)c2)C1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride?
The InChIKey is IKPWKVFYNPZQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl5FO/c11-4-1-3(2-5(12)8(4)16)6-7(9(13)17)10(6,14)15/h1-2,6-7H.
What are the key properties of 2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride?
2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride has a molecular weight of 336.40 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride is sourced from PubChem (CID 150564885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).