1-(2,3,4,5,6-pentafluorophenyl)cyclopropane-1-carboxylic acid

C10H5F5O2 — CID 83412621

IUPAC1-(2,3,4,5,6-pentafluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2c(F)c(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C10H5F5O2/c11-4-3(10(1-2-10)9(16)17)5(12)7(14)8(15)6(4)13/h1-2H2,(H,16,17)
InChIKeyCFYXPFYTUUVTPU-UHFFFAOYSA-N
MW252.14 g/mol
LogP2.50
Rot. Bonds2

About 1-(2,3,4,5,6-pentafluorophenyl)cyclopropane-1-carboxylic acid

1-(2,3,4,5,6-pentafluorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 83412621) has the molecular formula C10H5F5O2 and a molecular weight of 252.14 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentafluorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentafluorophenyl)cyclopropane-1-carboxylic acid
PubChem CID83412621
Molecular FormulaC10H5F5O2
Molecular Weight252.14 g/mol
Exact Mass252.02
IUPAC Name1-(2,3,4,5,6-pentafluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2c(F)c(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C10H5F5O2/c11-4-3(10(1-2-10)9(16)17)5(12)7(14)8(15)6(4)13/h1-2H2,(H,16,17)
InChIKeyCFYXPFYTUUVTPU-UHFFFAOYSA-N
XLogP2.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)cyclopropane-1-carboxylic acid (CID 83412621) is 1-(2,3,4,5,6-pentafluorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2,3,4,5,6-pentafluorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2,3,4,5,6-pentafluorophenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2c(F)c(F)c(F)c(F)c2F)CC1.
What is the InChIKey of 1-(2,3,4,5,6-pentafluorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is CFYXPFYTUUVTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F5O2/c11-4-3(10(1-2-10)9(16)17)5(12)7(14)8(15)6(4)13/h1-2H2,(H,16,17).
What are the key properties of 1-(2,3,4,5,6-pentafluorophenyl)cyclopropane-1-carboxylic acid?
1-(2,3,4,5,6-pentafluorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 252.14 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentafluorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83412621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).