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

C13H15FO2 — CID 105479068

IUPAC(1R)-2-(2-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCC(C)C1(c2ccccc2F)C[C@H]1C(=O)O
InChIInChI=1S/C13H15FO2/c1-8(2)13(7-10(13)12(15)16)9-5-3-4-6-11(9)14/h3-6,8,10H,7H2,1-2H3,(H,15,16)/t10-,13?/m0/s1
InChIKeyCUAUSMKYIOOPKF-NKUHCKNESA-N
MW222.26 g/mol
LogP2.82
Rot. Bonds3

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

(1R)-2-(2-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid (PubChem CID 105479068) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is (1R)-2-(2-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-2-(2-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
PubChem CID105479068
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name(1R)-2-(2-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCC(C)C1(c2ccccc2F)C[C@H]1C(=O)O
InChIInChI=1S/C13H15FO2/c1-8(2)13(7-10(13)12(15)16)9-5-3-4-6-11(9)14/h3-6,8,10H,7H2,1-2H3,(H,15,16)/t10-,13?/m0/s1
InChIKeyCUAUSMKYIOOPKF-NKUHCKNESA-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-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 105479070
(1R)-2-(3-hydroxyphenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 105475639
(3S,4S)-4-(2-fluorophenyl)-4-(methylamino)oxolane-3-carboxylic acid
CID 66868946
(3S,4R)-4-amino-4-(2-fluorophenyl)oxolane-3-carboxylic acid
CID 123956651
6-[3-(2-fluorophenyl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175510
1-(2-fluorophenyl)-3-propylcyclobutane-1-carboxylic acid
CID 65014142
1-(2-chlorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 83842824
cis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 94256560
1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid
CID 64906471
2-fluoro-2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 72755670
2-[1-(2-fluorophenyl)cyclopropyl]acetic acid
CID 82075914
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of (1R)-2-(2-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid (CID 105479068) is (1R)-2-(2-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for (1R)-2-(2-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for (1R)-2-(2-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid is CC(C)C1(c2ccccc2F)C[C@H]1C(=O)O.
What is the InChIKey of (1R)-2-(2-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is CUAUSMKYIOOPKF-NKUHCKNESA-N. The full InChI is InChI=1S/C13H15FO2/c1-8(2)13(7-10(13)12(15)16)9-5-3-4-6-11(9)14/h3-6,8,10H,7H2,1-2H3,(H,15,16)/t10-,13?/m0/s1.
What are the key properties of (1R)-2-(2-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
(1R)-2-(2-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-(2-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 105479068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).