(1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid

C13H15FO2 — CID 105479070

IUPAC(1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCC(C)C1(c2cccc(F)c2)C[C@H]1C(=O)O
InChIInChI=1S/C13H15FO2/c1-8(2)13(7-11(13)12(15)16)9-4-3-5-10(14)6-9/h3-6,8,11H,7H2,1-2H3,(H,15,16)/t11-,13?/m0/s1
InChIKeyJWQVGROMCJWDJK-AMGKYWFPSA-N
MW222.26 g/mol
LogP2.82
Rot. Bonds3

About (1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid

(1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid (PubChem CID 105479070) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is (1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
PubChem CID105479070
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name(1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCC(C)C1(c2cccc(F)c2)C[C@H]1C(=O)O
InChIInChI=1S/C13H15FO2/c1-8(2)13(7-11(13)12(15)16)9-4-3-5-10(14)6-9/h3-6,8,11H,7H2,1-2H3,(H,15,16)/t11-,13?/m0/s1
InChIKeyJWQVGROMCJWDJK-AMGKYWFPSA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-2-(3-hydroxyphenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 105475639
2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carbaldehyde
CID 105458991
2-(3-fluorophenyl)-2-methyloxolane-3-carboxylic acid
CID 105481638
2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid
CID 68973973
1-(3-fluorophenyl)-2-methylcyclopropan-1-ol
CID 79333941
1-(3-fluorophenyl)-2,2-dimethylpyrrolidine-3-carboxylic acid
CID 117017317
cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene
CID 144506974
1-(3-fluorophenyl)-3-propan-2-ylcyclobutan-1-amine
CID 65016881
2-methyl-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 62389548
1-fluoro-3-(1-propan-2-ylcyclopropyl)benzene;1-methyl-4-(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclobutyl)benzene;(1-propan-2-ylcyclohexyl)benzene;(1-propan-2-ylcyclopentyl)benzene
CID 159896274
[(2S)-1-anilino-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 40651443
6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174632

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of (1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid (CID 105479070) is (1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for (1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for (1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid is CC(C)C1(c2cccc(F)c2)C[C@H]1C(=O)O.
What is the InChIKey of (1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is JWQVGROMCJWDJK-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H15FO2/c1-8(2)13(7-11(13)12(15)16)9-4-3-5-10(14)6-9/h3-6,8,11H,7H2,1-2H3,(H,15,16)/t11-,13?/m0/s1.
What are the key properties of (1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
(1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid has a molecular weight of 222.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 105479070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).