(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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Related Compounds

(1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 129382428
ethyl 3-ethyl-3-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360291
N-[[2-ethyl-2-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine
CID 55138904
3-ethyl-3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105360039
cis-(1R,3R)-3-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylic acid
CID 99996064
3-tert-butyl-1-(4-fluorophenyl)cyclobutane-1-carboxylic acid
CID 65017269
[1-(4-fluorophenyl)-3-propylcyclobutyl]methanamine
CID 65013748
2-[9-(4-fluorophenyl)-3-hydroxy-3-methyl-9-bicyclo[3.3.1]nonanyl]acetic acid
CID 59336884
2-fluoro-2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 72755670
3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid
CID 63069456
(1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 105479070
1-(4-fluorophenyl)-4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid
CID 57221369

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).