trans-(1R,3S)-2,2-dichloro-1-methyl-3-phenylcyclopropane-1-carbonyl chloride

C11H9Cl3O — CID 11021731

IUPACtrans-(1R,3S)-2,2-dichloro-1-methyl-3-phenylcyclopropane-1-carbonyl chloride
SMILESC[C@]1(C(=O)Cl)[C@H](c2ccccc2)C1(Cl)Cl
InChIInChI=1S/C11H9Cl3O/c1-10(9(12)15)8(11(10,13)14)7-5-3-2-4-6-7/h2-6,8H,1H3/t8-,10+/m0/s1
InChIKeyVKHVRDNQGVHTPE-WCBMZHEXSA-N
MW263.55 g/mol
LogP3.73
Rot. Bonds2

About trans-(1R,3S)-2,2-dichloro-1-methyl-3-phenylcyclopropane-1-carbonyl chloride

trans-(1R,3S)-2,2-dichloro-1-methyl-3-phenylcyclopropane-1-carbonyl chloride (PubChem CID 11021731) has the molecular formula C11H9Cl3O and a molecular weight of 263.55 g/mol. Its IUPAC name is trans-(1R,3S)-2,2-dichloro-1-methyl-3-phenylcyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Nametrans-(1R,3S)-2,2-dichloro-1-methyl-3-phenylcyclopropane-1-carbonyl chloride
PubChem CID11021731
Molecular FormulaC11H9Cl3O
Molecular Weight263.55 g/mol
Exact Mass261.97
IUPAC Nametrans-(1R,3S)-2,2-dichloro-1-methyl-3-phenylcyclopropane-1-carbonyl chloride
SMILESC[C@]1(C(=O)Cl)[C@H](c2ccccc2)C1(Cl)Cl
InChIInChI=1S/C11H9Cl3O/c1-10(9(12)15)8(11(10,13)14)7-5-3-2-4-6-7/h2-6,8H,1H3/t8-,10+/m0/s1
InChIKeyVKHVRDNQGVHTPE-WCBMZHEXSA-N
XLogP3.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.55
LogP ≤ 53.73
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

2,2-dibromo-1-methyl-3-phenylcyclopropane-1-carbonyl chloride
CID 11100269
3-(2,2-dichloro-1-methyl-3-phenylcyclopropyl)-2-methylbut-3-en-2-amine
CID 57146559
2,2-dichloro-1,3-dimethylcyclopropane-1-carbonyl chloride
CID 45081850
triethyl 2-chloro-3-phenylcyclopropane-1,1,2-tricarboxylate
CID 12009005
(1S,2S,3S)-2-(4-bromophenyl)-1-fluoro-2-methyl-3-phenylcyclopropane-1-carboxylic acid
CID 118237229
(2-chloro-2,3-dimethylcyclopropyl)benzene
CID 589290
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
methyl 3-hydroxy-1,4-dimethyl-2-oxo-5-phenylcyclopentane-1-carboxylate
CID 134966986
methyl 5-methyl-2-phenyl-1,3-dioxane-5-carboxylate
CID 142132815
cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate
CID 25137557
1,1,3,3-tetramethyl-2H-indene-2-carbonyl chloride
CID 101271421
1,1-diacetyl-3-phenylspiro[cyclopropane-2,2'-indene]-1',3'-dione
CID 56594318

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-2,2-dichloro-1-methyl-3-phenylcyclopropane-1-carbonyl chloride?
The IUPAC name of trans-(1R,3S)-2,2-dichloro-1-methyl-3-phenylcyclopropane-1-carbonyl chloride (CID 11021731) is trans-(1R,3S)-2,2-dichloro-1-methyl-3-phenylcyclopropane-1-carbonyl chloride.
What is the SMILES notation for trans-(1R,3S)-2,2-dichloro-1-methyl-3-phenylcyclopropane-1-carbonyl chloride?
The canonical SMILES for trans-(1R,3S)-2,2-dichloro-1-methyl-3-phenylcyclopropane-1-carbonyl chloride is C[C@]1(C(=O)Cl)[C@H](c2ccccc2)C1(Cl)Cl.
What is the InChIKey of trans-(1R,3S)-2,2-dichloro-1-methyl-3-phenylcyclopropane-1-carbonyl chloride?
The InChIKey is VKHVRDNQGVHTPE-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H9Cl3O/c1-10(9(12)15)8(11(10,13)14)7-5-3-2-4-6-7/h2-6,8H,1H3/t8-,10+/m0/s1.
What are the key properties of trans-(1R,3S)-2,2-dichloro-1-methyl-3-phenylcyclopropane-1-carbonyl chloride?
trans-(1R,3S)-2,2-dichloro-1-methyl-3-phenylcyclopropane-1-carbonyl chloride has a molecular weight of 263.55 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-2,2-dichloro-1-methyl-3-phenylcyclopropane-1-carbonyl chloride is sourced from PubChem (CID 11021731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).