3-cyclopropyl-3-(4-fluoro-3-phenylphenyl)propanoic acid

C18H17FO2 — CID 117457802

IUPAC3-cyclopropyl-3-(4-fluoro-3-phenylphenyl)propanoic acid
SMILESO=C(O)CC(c1ccc(F)c(-c2ccccc2)c1)C1CC1
InChIInChI=1S/C18H17FO2/c19-17-9-8-14(15(11-18(20)21)13-6-7-13)10-16(17)12-4-2-1-3-5-12/h1-5,8-10,13,15H,6-7,11H2,(H,20,21)
InChIKeyMFQWPZNUKPPDPV-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.46
Rot. Bonds5

About 3-cyclopropyl-3-(4-fluoro-3-phenylphenyl)propanoic acid

3-cyclopropyl-3-(4-fluoro-3-phenylphenyl)propanoic acid (PubChem CID 117457802) has the molecular formula C18H17FO2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-fluoro-3-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-fluoro-3-phenylphenyl)propanoic acid
PubChem CID117457802
Molecular FormulaC18H17FO2
Molecular Weight284.33 g/mol
Exact Mass284.12
IUPAC Name3-cyclopropyl-3-(4-fluoro-3-phenylphenyl)propanoic acid
SMILESO=C(O)CC(c1ccc(F)c(-c2ccccc2)c1)C1CC1
InChIInChI=1S/C18H17FO2/c19-17-9-8-14(15(11-18(20)21)13-6-7-13)10-16(17)12-4-2-1-3-5-12/h1-5,8-10,13,15H,6-7,11H2,(H,20,21)
InChIKeyMFQWPZNUKPPDPV-UHFFFAOYSA-N
XLogP4.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid
CID 135365867
3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid
CID 82292705
3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid
CID 117379319
3-cyclopropyl-3-(3-fluoro-4-methylsulfanylphenyl)propanoic acid
CID 117389246
3-cyclobutyl-3-(4-fluoro-3-methylphenyl)propanoic acid
CID 82291605
(3S)-3-cyclopropyl-3-[3-[4-(2-fluoro-5-methoxyphenyl)phenoxy]carbonylphenyl]propanoic acid
CID 164822877
3-cyclopropyl-3-[2-[4-(2-fluoro-5-hydroxyphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid
CID 123161303
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
3-(4-bromo-3,5-difluorophenyl)-3-cyclopropylpropanoic acid
CID 117490252
5-(2-carboxy-1-cyclopropylethyl)-2-methylbenzoic acid
CID 117373279
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648
3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 117383662

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-fluoro-3-phenylphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(4-fluoro-3-phenylphenyl)propanoic acid (CID 117457802) is 3-cyclopropyl-3-(4-fluoro-3-phenylphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(4-fluoro-3-phenylphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(4-fluoro-3-phenylphenyl)propanoic acid is O=C(O)CC(c1ccc(F)c(-c2ccccc2)c1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(4-fluoro-3-phenylphenyl)propanoic acid?
The InChIKey is MFQWPZNUKPPDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO2/c19-17-9-8-14(15(11-18(20)21)13-6-7-13)10-16(17)12-4-2-1-3-5-12/h1-5,8-10,13,15H,6-7,11H2,(H,20,21).
What are the key properties of 3-cyclopropyl-3-(4-fluoro-3-phenylphenyl)propanoic acid?
3-cyclopropyl-3-(4-fluoro-3-phenylphenyl)propanoic acid has a molecular weight of 284.33 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-fluoro-3-phenylphenyl)propanoic acid is sourced from PubChem (CID 117457802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).