5-(2,5-difluorophenyl)-5-hydroxypentanoic acid

C11H12F2O3 — CID 43117843

IUPAC5-(2,5-difluorophenyl)-5-hydroxypentanoic acid
SMILESO=C(O)CCCC(O)c1cc(F)ccc1F
InChIInChI=1S/C11H12F2O3/c12-7-4-5-9(13)8(6-7)10(14)2-1-3-11(15)16/h4-6,10,14H,1-3H2,(H,15,16)
InChIKeyORXCPRNSLNNYBF-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.25
Rot. Bonds5

About 5-(2,5-difluorophenyl)-5-hydroxypentanoic acid

5-(2,5-difluorophenyl)-5-hydroxypentanoic acid (PubChem CID 43117843) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-5-hydroxypentanoic acid.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-5-hydroxypentanoic acid
PubChem CID43117843
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Name5-(2,5-difluorophenyl)-5-hydroxypentanoic acid
SMILESO=C(O)CCCC(O)c1cc(F)ccc1F
InChIInChI=1S/C11H12F2O3/c12-7-4-5-9(13)8(6-7)10(14)2-1-3-11(15)16/h4-6,10,14H,1-3H2,(H,15,16)
InChIKeyORXCPRNSLNNYBF-UHFFFAOYSA-N
XLogP2.25
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]hexanoic acid
CID 82316123
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
(5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid
CID 28931114
4-(2,5-difluorophenyl)-N,N-diethyl-4-hydroxybutanamide
CID 112511117
4-(2,5-difluorophenyl)-4-(dimethylamino)butanoic acid
CID 82386520
1-(2,5-difluorophenyl)-2-phenylethanol
CID 61101479
5-(5-fluoro-2-methoxyphenyl)hexanoic acid
CID 112512385
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 61100110
4-(cyclopropylamino)-5-(2,5-difluorophenyl)-5-hydroxypentanoic acid
CID 82349437
2-anilino-1-(2,5-difluorophenyl)ethanol
CID 55026297
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-5-hydroxypentanoic acid?
The IUPAC name of 5-(2,5-difluorophenyl)-5-hydroxypentanoic acid (CID 43117843) is 5-(2,5-difluorophenyl)-5-hydroxypentanoic acid.
What is the SMILES notation for 5-(2,5-difluorophenyl)-5-hydroxypentanoic acid?
The canonical SMILES for 5-(2,5-difluorophenyl)-5-hydroxypentanoic acid is O=C(O)CCCC(O)c1cc(F)ccc1F.
What is the InChIKey of 5-(2,5-difluorophenyl)-5-hydroxypentanoic acid?
The InChIKey is ORXCPRNSLNNYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c12-7-4-5-9(13)8(6-7)10(14)2-1-3-11(15)16/h4-6,10,14H,1-3H2,(H,15,16).
What are the key properties of 5-(2,5-difluorophenyl)-5-hydroxypentanoic acid?
5-(2,5-difluorophenyl)-5-hydroxypentanoic acid has a molecular weight of 230.21 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-5-hydroxypentanoic acid is sourced from PubChem (CID 43117843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).