3-(4-cyclopropylphenyl)-2-fluoropropanoic acid

C12H13FO2 — CID 81358375

IUPAC3-(4-cyclopropylphenyl)-2-fluoropropanoic acid
SMILESO=C(O)C(F)Cc1ccc(C2CC2)cc1
InChIInChI=1S/C12H13FO2/c13-11(12(14)15)7-8-1-3-9(4-2-8)10-5-6-10/h1-4,10-11H,5-7H2,(H,14,15)
InChIKeyIWUQYGYYXJKSTD-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.53
Rot. Bonds4

About 3-(4-cyclopropylphenyl)-2-fluoropropanoic acid

3-(4-cyclopropylphenyl)-2-fluoropropanoic acid (PubChem CID 81358375) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 3-(4-cyclopropylphenyl)-2-fluoropropanoic acid.

Molecular Properties

Compound Name3-(4-cyclopropylphenyl)-2-fluoropropanoic acid
PubChem CID81358375
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name3-(4-cyclopropylphenyl)-2-fluoropropanoic acid
SMILESO=C(O)C(F)Cc1ccc(C2CC2)cc1
InChIInChI=1S/C12H13FO2/c13-11(12(14)15)7-8-1-3-9(4-2-8)10-5-6-10/h1-4,10-11H,5-7H2,(H,14,15)
InChIKeyIWUQYGYYXJKSTD-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid
CID 138583979
(2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid
CID 68534657
2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid
CID 79978602
3-(3,4-difluorophenyl)-2-fluoropropanoic acid
CID 81357959
(2S)-3-(4-cyclopropylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 172894241
4-(4-cyclohexylphenyl)-3-methylbutanoic acid
CID 116926748
1-(4-cyclopropylphenyl)propan-2-amine
CID 79983899
4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid
CID 122045700
5-(4-cyclopentylphenyl)-4-methylpentanoic acid
CID 70538154
2-(aminomethyl)-3-(4-cyclopropylphenyl)-N,N-dimethylpropanamide
CID 79980218
(2S)-2-(4-cyclopropylphenyl)butanedioic acid
CID 799527
(2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid
CID 122038518

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylphenyl)-2-fluoropropanoic acid?
The IUPAC name of 3-(4-cyclopropylphenyl)-2-fluoropropanoic acid (CID 81358375) is 3-(4-cyclopropylphenyl)-2-fluoropropanoic acid.
What is the SMILES notation for 3-(4-cyclopropylphenyl)-2-fluoropropanoic acid?
The canonical SMILES for 3-(4-cyclopropylphenyl)-2-fluoropropanoic acid is O=C(O)C(F)Cc1ccc(C2CC2)cc1.
What is the InChIKey of 3-(4-cyclopropylphenyl)-2-fluoropropanoic acid?
The InChIKey is IWUQYGYYXJKSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c13-11(12(14)15)7-8-1-3-9(4-2-8)10-5-6-10/h1-4,10-11H,5-7H2,(H,14,15).
What are the key properties of 3-(4-cyclopropylphenyl)-2-fluoropropanoic acid?
3-(4-cyclopropylphenyl)-2-fluoropropanoic acid has a molecular weight of 208.23 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylphenyl)-2-fluoropropanoic acid is sourced from PubChem (CID 81358375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).