2-fluoroundecanoic acid

C11H21FO2 — CID 24976101

IUPAC2-fluoroundecanoic acid
SMILESCCCCCCCCCC(F)C(=O)O
InChIInChI=1S/C11H21FO2/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKeyUQXHPNYCPAAXSS-UHFFFAOYSA-N
MW204.28 g/mol
LogP3.55
Rot. Bonds9

About 2-fluoroundecanoic acid

2-fluoroundecanoic acid (PubChem CID 24976101) has the molecular formula C11H21FO2 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-fluoroundecanoic acid.

Molecular Properties

Compound Name2-fluoroundecanoic acid
PubChem CID24976101
Molecular FormulaC11H21FO2
Molecular Weight204.28 g/mol
Exact Mass204.15
IUPAC Name2-fluoroundecanoic acid
SMILESCCCCCCCCCC(F)C(=O)O
InChIInChI=1S/C11H21FO2/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKeyUQXHPNYCPAAXSS-UHFFFAOYSA-N
XLogP3.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluorododecanoyl 2-fluorododecaneperoxoate
CID 175410514
2-fluoro-3-hydroxytetradecanoic acid
CID 15738774
2-icosylpropanedioic acid
CID 11582738
2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972
methyl 2-fluorododecanoate
CID 86171800
methyl (2R)-2-fluorodecanoate
CID 11333185
2-hexylpentacosanoic acid
CID 158257677
2-hexadecyl-3-octadecylbutanedioic acid
CID 21183607
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-hexylnonanoic acid
CID 18521424

Frequently Asked Questions

What is the IUPAC name of 2-fluoroundecanoic acid?
The IUPAC name of 2-fluoroundecanoic acid (CID 24976101) is 2-fluoroundecanoic acid.
What is the SMILES notation for 2-fluoroundecanoic acid?
The canonical SMILES for 2-fluoroundecanoic acid is CCCCCCCCCC(F)C(=O)O.
What is the InChIKey of 2-fluoroundecanoic acid?
The InChIKey is UQXHPNYCPAAXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO2/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-fluoroundecanoic acid?
2-fluoroundecanoic acid has a molecular weight of 204.28 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroundecanoic acid is sourced from PubChem (CID 24976101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).