2-(2,2,3-trichloro-3,3-difluoropropyl)cyclopropane-1-carboxylic acid

C7H7Cl3F2O2 — CID 20523999

IUPAC2-(2,2,3-trichloro-3,3-difluoropropyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1CC(Cl)(Cl)C(F)(F)Cl
InChIInChI=1S/C7H7Cl3F2O2/c8-6(9,7(10,11)12)2-3-1-4(3)5(13)14/h3-4H,1-2H2,(H,13,14)
InChIKeyUDEKPECNBQYQPL-UHFFFAOYSA-N
MW267.49 g/mol
LogP3.10
Rot. Bonds4

About 2-(2,2,3-trichloro-3,3-difluoropropyl)cyclopropane-1-carboxylic acid

2-(2,2,3-trichloro-3,3-difluoropropyl)cyclopropane-1-carboxylic acid (PubChem CID 20523999) has the molecular formula C7H7Cl3F2O2 and a molecular weight of 267.49 g/mol. Its IUPAC name is 2-(2,2,3-trichloro-3,3-difluoropropyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,3-trichloro-3,3-difluoropropyl)cyclopropane-1-carboxylic acid
PubChem CID20523999
Molecular FormulaC7H7Cl3F2O2
Molecular Weight267.49 g/mol
Exact Mass265.95
IUPAC Name2-(2,2,3-trichloro-3,3-difluoropropyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1CC(Cl)(Cl)C(F)(F)Cl
InChIInChI=1S/C7H7Cl3F2O2/c8-6(9,7(10,11)12)2-3-1-4(3)5(13)14/h3-4H,1-2H2,(H,13,14)
InChIKeyUDEKPECNBQYQPL-UHFFFAOYSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3-trichloro-3,3-difluoropropyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2,2,3-trichloro-3,3-difluoropropyl)cyclopropane-1-carboxylic acid (CID 20523999) is 2-(2,2,3-trichloro-3,3-difluoropropyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2,2,3-trichloro-3,3-difluoropropyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2,2,3-trichloro-3,3-difluoropropyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1CC(Cl)(Cl)C(F)(F)Cl.
What is the InChIKey of 2-(2,2,3-trichloro-3,3-difluoropropyl)cyclopropane-1-carboxylic acid?
The InChIKey is UDEKPECNBQYQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl3F2O2/c8-6(9,7(10,11)12)2-3-1-4(3)5(13)14/h3-4H,1-2H2,(H,13,14).
What are the key properties of 2-(2,2,3-trichloro-3,3-difluoropropyl)cyclopropane-1-carboxylic acid?
2-(2,2,3-trichloro-3,3-difluoropropyl)cyclopropane-1-carboxylic acid has a molecular weight of 267.49 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3-trichloro-3,3-difluoropropyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 20523999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).