trans-(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride

C10H5Cl4FO — CID 140860141

IUPACtrans-(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride
SMILESO=C(Cl)[C@H]1[C@H](c2ccc(F)c(Cl)c2)C1(Cl)Cl
InChIInChI=1S/C10H5Cl4FO/c11-5-3-4(1-2-6(5)15)7-8(9(12)16)10(7,13)14/h1-3,7-8H/t7-,8+/m0/s1
InChIKeyYTGLPVRCRDTCKK-JGVFFNPUSA-N
MW301.96 g/mol
LogP4.13
Rot. Bonds2

About trans-(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride

trans-(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride (PubChem CID 140860141) has the molecular formula C10H5Cl4FO and a molecular weight of 301.96 g/mol. Its IUPAC name is trans-(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Nametrans-(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride
PubChem CID140860141
Molecular FormulaC10H5Cl4FO
Molecular Weight301.96 g/mol
Exact Mass299.91
IUPAC Nametrans-(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride
SMILESO=C(Cl)[C@H]1[C@H](c2ccc(F)c(Cl)c2)C1(Cl)Cl
InChIInChI=1S/C10H5Cl4FO/c11-5-3-4(1-2-6(5)15)7-8(9(12)16)10(7,13)14/h1-3,7-8H/t7-,8+/m0/s1
InChIKeyYTGLPVRCRDTCKK-JGVFFNPUSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.96
LogP ≤ 54.13
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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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride?
The IUPAC name of trans-(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride (CID 140860141) is trans-(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride.
What is the SMILES notation for trans-(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride?
The canonical SMILES for trans-(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride is O=C(Cl)[C@H]1[C@H](c2ccc(F)c(Cl)c2)C1(Cl)Cl.
What is the InChIKey of trans-(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride?
The InChIKey is YTGLPVRCRDTCKK-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H5Cl4FO/c11-5-3-4(1-2-6(5)15)7-8(9(12)16)10(7,13)14/h1-3,7-8H/t7-,8+/m0/s1.
What are the key properties of trans-(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride?
trans-(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride has a molecular weight of 301.96 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride is sourced from PubChem (CID 140860141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).