5-chloro-2-fluoropentanoic acid

C5H8ClFO2 — CID 55302102

IUPAC5-chloro-2-fluoropentanoic acid
SMILESO=C(O)C(F)CCCCl
InChIInChI=1S/C5H8ClFO2/c6-3-1-2-4(7)5(8)9/h4H,1-3H2,(H,8,9)
InChIKeyPIFICDVFHWMNQV-UHFFFAOYSA-N
MW154.57 g/mol
LogP1.43
Rot. Bonds4

About 5-chloro-2-fluoropentanoic acid

5-chloro-2-fluoropentanoic acid (PubChem CID 55302102) has the molecular formula C5H8ClFO2 and a molecular weight of 154.57 g/mol. Its IUPAC name is 5-chloro-2-fluoropentanoic acid.

Molecular Properties

Compound Name5-chloro-2-fluoropentanoic acid
PubChem CID55302102
Molecular FormulaC5H8ClFO2
Molecular Weight154.57 g/mol
Exact Mass154.02
IUPAC Name5-chloro-2-fluoropentanoic acid
SMILESO=C(O)C(F)CCCCl
InChIInChI=1S/C5H8ClFO2/c6-3-1-2-4(7)5(8)9/h4H,1-3H2,(H,8,9)
InChIKeyPIFICDVFHWMNQV-UHFFFAOYSA-N
XLogP1.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.57
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-chloro-2-fluoropentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoroundecanoic acid
CID 24976101
(2S)-4-amino-2-fluorobutanoic acid
CID 7016346
5-chloro-2-ethylpentanoic acid
CID 55301111
copper;2,2-difluoroacetic acid
CID 88507984
2-(18F)fluoro-3-hydroxypropanoic acid
CID 151917009
2-fluoro-5-hydroxyheptanoic acid
CID 141415145
2-amino-6-chlorohexanoic acid
CID 14059993
2,6,6-trifluoro-5-methylhexanoic acid
CID 142641839
2-fluoro-3-sulfanylpropanoic acid
CID 19034215
(2S)-2-amino-4-(3-chloropropylsulfanyl)butanoic acid
CID 87113694
(2R)-2-amino-4-(3-chloropropylsulfanyl)butanoic acid
CID 87113695
(2S)-2-fluoro-5-(oxo-λ5-phosphanylidyne)pentanoic acid
CID 126600650

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoropentanoic acid?
The IUPAC name of 5-chloro-2-fluoropentanoic acid (CID 55302102) is 5-chloro-2-fluoropentanoic acid.
What is the SMILES notation for 5-chloro-2-fluoropentanoic acid?
The canonical SMILES for 5-chloro-2-fluoropentanoic acid is O=C(O)C(F)CCCCl.
What is the InChIKey of 5-chloro-2-fluoropentanoic acid?
The InChIKey is PIFICDVFHWMNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClFO2/c6-3-1-2-4(7)5(8)9/h4H,1-3H2,(H,8,9).
What are the key properties of 5-chloro-2-fluoropentanoic acid?
5-chloro-2-fluoropentanoic acid has a molecular weight of 154.57 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoropentanoic acid is sourced from PubChem (CID 55302102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).