(1R)-2-ethyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid

C12H13FO2 — CID 105461613

IUPAC(1R)-2-ethyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
SMILESCCC1(c2ccc(F)cc2)C[C@H]1C(=O)O
InChIInChI=1S/C12H13FO2/c1-2-12(7-10(12)11(14)15)8-3-5-9(13)6-4-8/h3-6,10H,2,7H2,1H3,(H,14,15)/t10-,12?/m0/s1
InChIKeyWNLDQDHMLDXOSQ-NUHJPDEHSA-N
MW208.23 g/mol
LogP2.58
Rot. Bonds3

About (1R)-2-ethyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid

(1R)-2-ethyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 105461613) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is (1R)-2-ethyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-2-ethyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
PubChem CID105461613
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name(1R)-2-ethyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
SMILESCCC1(c2ccc(F)cc2)C[C@H]1C(=O)O
InChIInChI=1S/C12H13FO2/c1-2-12(7-10(12)11(14)15)8-3-5-9(13)6-4-8/h3-6,10H,2,7H2,1H3,(H,14,15)/t10-,12?/m0/s1
InChIKeyWNLDQDHMLDXOSQ-NUHJPDEHSA-N
XLogP2.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-ethyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of (1R)-2-ethyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid (CID 105461613) is (1R)-2-ethyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for (1R)-2-ethyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for (1R)-2-ethyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid is CCC1(c2ccc(F)cc2)C[C@H]1C(=O)O.
What is the InChIKey of (1R)-2-ethyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is WNLDQDHMLDXOSQ-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H13FO2/c1-2-12(7-10(12)11(14)15)8-3-5-9(13)6-4-8/h3-6,10H,2,7H2,1H3,(H,14,15)/t10-,12?/m0/s1.
What are the key properties of (1R)-2-ethyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid?
(1R)-2-ethyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 208.23 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-ethyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 105461613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).