3-(3,5-difluorophenyl)propanoic acid;fluorobenzene

C15H13F3O2 — CID 144589467

IUPAC3-(3,5-difluorophenyl)propanoic acid;fluorobenzene
SMILESFc1ccccc1.O=C(O)CCc1cc(F)cc(F)c1
InChIInChI=1S/C9H8F2O2.C6H5F/c10-7-3-6(1-2-9(12)13)4-8(11)5-7;7-6-4-2-1-3-5-6/h3-5H,1-2H2,(H,12,13);1-5H
InChIKeyWZXRCKPTCOZTKE-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.81
Rot. Bonds3

About 3-(3,5-difluorophenyl)propanoic acid;fluorobenzene

3-(3,5-difluorophenyl)propanoic acid;fluorobenzene (PubChem CID 144589467) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)propanoic acid;fluorobenzene.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)propanoic acid;fluorobenzene
PubChem CID144589467
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name3-(3,5-difluorophenyl)propanoic acid;fluorobenzene
SMILESFc1ccccc1.O=C(O)CCc1cc(F)cc(F)c1
InChIInChI=1S/C9H8F2O2.C6H5F/c10-7-3-6(1-2-9(12)13)4-8(11)5-7;7-6-4-2-1-3-5-6/h3-5H,1-2H2,(H,12,13);1-5H
InChIKeyWZXRCKPTCOZTKE-UHFFFAOYSA-N
XLogP3.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
1,3-difluoro-5-(2-phenylethyl)benzene
CID 90780533
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CID 174887955
3-[3,5-dibromo-4-[(3,5-difluorophenyl)methoxy]phenyl]propanoic acid
CID 10225830
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
1-(3,5-difluorophenyl)-3-phenylpropan-2-one
CID 61496724
fluorobenzene;4-oxobutanoic acid
CID 88636565
3-[2-(3-fluorophenyl)pyrimidin-5-yl]propanoic acid
CID 82384666
3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid
CID 142194169
3-[2-(3-fluorophenyl)ethoxy]propanoic acid
CID 59296248
3-(3-fluoro-4,5-dihydroxyphenyl)propanoic acid
CID 117289030

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)propanoic acid;fluorobenzene?
The IUPAC name of 3-(3,5-difluorophenyl)propanoic acid;fluorobenzene (CID 144589467) is 3-(3,5-difluorophenyl)propanoic acid;fluorobenzene.
What is the SMILES notation for 3-(3,5-difluorophenyl)propanoic acid;fluorobenzene?
The canonical SMILES for 3-(3,5-difluorophenyl)propanoic acid;fluorobenzene is Fc1ccccc1.O=C(O)CCc1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)propanoic acid;fluorobenzene?
The InChIKey is WZXRCKPTCOZTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2.C6H5F/c10-7-3-6(1-2-9(12)13)4-8(11)5-7;7-6-4-2-1-3-5-6/h3-5H,1-2H2,(H,12,13);1-5H.
What are the key properties of 3-(3,5-difluorophenyl)propanoic acid;fluorobenzene?
3-(3,5-difluorophenyl)propanoic acid;fluorobenzene has a molecular weight of 282.26 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)propanoic acid;fluorobenzene is sourced from PubChem (CID 144589467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).