1-(2-fluoroethyl)cyclopropane-1-carboxylic acid

C6H9FO2 — CID 80697265

IUPAC1-(2-fluoroethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CCF)CC1
InChIInChI=1S/C6H9FO2/c7-4-3-6(1-2-6)5(8)9/h1-4H2,(H,8,9)
InChIKeySPIRZTILNURCMJ-UHFFFAOYSA-N
MW132.13 g/mol
LogP1.21
Rot. Bonds3

About 1-(2-fluoroethyl)cyclopropane-1-carboxylic acid

1-(2-fluoroethyl)cyclopropane-1-carboxylic acid (PubChem CID 80697265) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is 1-(2-fluoroethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoroethyl)cyclopropane-1-carboxylic acid
PubChem CID80697265
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name1-(2-fluoroethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CCF)CC1
InChIInChI=1S/C6H9FO2/c7-4-3-6(1-2-6)5(8)9/h1-4H2,(H,8,9)
InChIKeySPIRZTILNURCMJ-UHFFFAOYSA-N
XLogP1.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-fluoroethyl)cyclopropane-1-carboxylic acid (CID 80697265) is 1-(2-fluoroethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-fluoroethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-fluoroethyl)cyclopropane-1-carboxylic acid is O=C(O)C1(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)cyclopropane-1-carboxylic acid?
The InChIKey is SPIRZTILNURCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2/c7-4-3-6(1-2-6)5(8)9/h1-4H2,(H,8,9).
What are the key properties of 1-(2-fluoroethyl)cyclopropane-1-carboxylic acid?
1-(2-fluoroethyl)cyclopropane-1-carboxylic acid has a molecular weight of 132.13 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 80697265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).