trans-(1R,3R)-3-[(Z)-2-chloro-1-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carbonyl chloride

C14H13Cl3O — CID 88623794

IUPACtrans-(1R,3R)-3-[(Z)-2-chloro-1-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carbonyl chloride
SMILESCC1(C)[C@H](C(=O)Cl)[C@H]1/C(=C/Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl3O/c1-14(2)11(12(14)13(17)18)10(7-15)8-3-5-9(16)6-4-8/h3-7,11-12H,1-2H3/b10-7+/t11-,12+/m1/s1
InChIKeyVFJYKCCNPHXIGV-XJUJAYADSA-N
MW303.62 g/mol
LogP4.96
Rot. Bonds3

About trans-(1R,3R)-3-[(Z)-2-chloro-1-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carbonyl chloride

trans-(1R,3R)-3-[(Z)-2-chloro-1-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carbonyl chloride (PubChem CID 88623794) has the molecular formula C14H13Cl3O and a molecular weight of 303.62 g/mol. Its IUPAC name is trans-(1R,3R)-3-[(Z)-2-chloro-1-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[(Z)-2-chloro-1-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carbonyl chloride
PubChem CID88623794
Molecular FormulaC14H13Cl3O
Molecular Weight303.62 g/mol
Exact Mass302.00
IUPAC Nametrans-(1R,3R)-3-[(Z)-2-chloro-1-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carbonyl chloride
SMILESCC1(C)[C@H](C(=O)Cl)[C@H]1/C(=C/Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl3O/c1-14(2)11(12(14)13(17)18)10(7-15)8-3-5-9(16)6-4-8/h3-7,11-12H,1-2H3/b10-7+/t11-,12+/m1/s1
InChIKeyVFJYKCCNPHXIGV-XJUJAYADSA-N
XLogP4.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.62
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[2-bromo-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 54563404
[(1R,3S)-3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropyl] hydrogen carbonate
CID 88614320
1-[1-bromo-2-(2,2-dimethylcyclopropyl)ethenyl]-4-chlorobenzene;carbonochloridic acid
CID 88726851
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide
CID 79710945
4-chlorobenzoic acid;fluoromethane
CID 174932068
2-chloro-1-(4-chlorophenyl)prop-2-en-1-one;methanol
CID 143536672
3-chloro-1-[2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 57006264
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
(3S)-3-[2-(4-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 54049478
trans-(1R,3R)-2,2-dimethyl-3-(4-propan-2-ylphenyl)cyclopropane-1-carbonyl chloride
CID 54142165
3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 57302576

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-[(Z)-2-chloro-1-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carbonyl chloride?
The IUPAC name of trans-(1R,3R)-3-[(Z)-2-chloro-1-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carbonyl chloride (CID 88623794) is trans-(1R,3R)-3-[(Z)-2-chloro-1-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carbonyl chloride.
What is the SMILES notation for trans-(1R,3R)-3-[(Z)-2-chloro-1-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carbonyl chloride?
The canonical SMILES for trans-(1R,3R)-3-[(Z)-2-chloro-1-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carbonyl chloride is CC1(C)[C@H](C(=O)Cl)[C@H]1/C(=C/Cl)c1ccc(Cl)cc1.
What is the InChIKey of trans-(1R,3R)-3-[(Z)-2-chloro-1-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carbonyl chloride?
The InChIKey is VFJYKCCNPHXIGV-XJUJAYADSA-N. The full InChI is InChI=1S/C14H13Cl3O/c1-14(2)11(12(14)13(17)18)10(7-15)8-3-5-9(16)6-4-8/h3-7,11-12H,1-2H3/b10-7+/t11-,12+/m1/s1.
What are the key properties of trans-(1R,3R)-3-[(Z)-2-chloro-1-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carbonyl chloride?
trans-(1R,3R)-3-[(Z)-2-chloro-1-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carbonyl chloride has a molecular weight of 303.62 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-[(Z)-2-chloro-1-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carbonyl chloride is sourced from PubChem (CID 88623794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).