3-(2,2,3,3-tetrafluoropropoxy)pentanoic acid

C8H12F4O3 — CID 114993438

IUPAC3-(2,2,3,3-tetrafluoropropoxy)pentanoic acid
SMILESCCC(CC(=O)O)OCC(F)(F)C(F)F
InChIInChI=1S/C8H12F4O3/c1-2-5(3-6(13)14)15-4-8(11,12)7(9)10/h5,7H,2-4H2,1H3,(H,13,14)
InChIKeyQCKDFMNMIPAIKQ-UHFFFAOYSA-N
MW232.17 g/mol
LogP2.16
Rot. Bonds7

About 3-(2,2,3,3-tetrafluoropropoxy)pentanoic acid

3-(2,2,3,3-tetrafluoropropoxy)pentanoic acid (PubChem CID 114993438) has the molecular formula C8H12F4O3 and a molecular weight of 232.17 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropoxy)pentanoic acid.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropoxy)pentanoic acid
PubChem CID114993438
Molecular FormulaC8H12F4O3
Molecular Weight232.17 g/mol
Exact Mass232.07
IUPAC Name3-(2,2,3,3-tetrafluoropropoxy)pentanoic acid
SMILESCCC(CC(=O)O)OCC(F)(F)C(F)F
InChIInChI=1S/C8H12F4O3/c1-2-5(3-6(13)14)15-4-8(11,12)7(9)10/h5,7H,2-4H2,1H3,(H,13,14)
InChIKeyQCKDFMNMIPAIKQ-UHFFFAOYSA-N
XLogP2.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide
CID 43175362
3-(2,2,3,3-tetrafluoropropoxy)pentanenitrile
CID 43368186
3-(3-hydroxypropoxy)pentanoic acid
CID 114988912
(4S)-2,5-dimethyl-4-(2,2,3,3-tetrafluoropropoxy)hexan-3-one
CID 176614604
2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid
CID 63073619
3-acetyloxypentanoic acid
CID 22152680
(4S)-4-(2,2,3,3-tetrafluoropropoxy)pent-1-en-3-one
CID 167252091
(3S)-3-phenylmethoxypentanoic acid
CID 57355663
3,3,4,4-tetrafluorobutanoic acid
CID 29005286
2-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentanoic acid
CID 114993097
1-O-ethyl 3-O-(2,2,3,3-tetrafluoropropyl) 2,2-diethylpropanedioate
CID 91734908
2,2,3,3-tetrafluoropropyl N-ethylcarbamate
CID 137320402

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3-tetrafluoropropoxy)pentanoic acid?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropoxy)pentanoic acid (CID 114993438) is 3-(2,2,3,3-tetrafluoropropoxy)pentanoic acid.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropoxy)pentanoic acid?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropoxy)pentanoic acid is CCC(CC(=O)O)OCC(F)(F)C(F)F.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropoxy)pentanoic acid?
The InChIKey is QCKDFMNMIPAIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4O3/c1-2-5(3-6(13)14)15-4-8(11,12)7(9)10/h5,7H,2-4H2,1H3,(H,13,14).
What are the key properties of 3-(2,2,3,3-tetrafluoropropoxy)pentanoic acid?
3-(2,2,3,3-tetrafluoropropoxy)pentanoic acid has a molecular weight of 232.17 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetrafluoropropoxy)pentanoic acid is sourced from PubChem (CID 114993438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).