4-(2,2,3,3-tetrafluoropropylamino)pentanoic acid

C8H13F4NO2 — CID 106289493

IUPAC4-(2,2,3,3-tetrafluoropropylamino)pentanoic acid
SMILESCC(CCC(=O)O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO2/c1-5(2-3-6(14)15)13-4-8(11,12)7(9)10/h5,7,13H,2-4H2,1H3,(H,14,15)
InChIKeyPOAVZMRJFNTPTG-UHFFFAOYSA-N
MW231.19 g/mol
LogP1.73
Rot. Bonds7

About 4-(2,2,3,3-tetrafluoropropylamino)pentanoic acid

4-(2,2,3,3-tetrafluoropropylamino)pentanoic acid (PubChem CID 106289493) has the molecular formula C8H13F4NO2 and a molecular weight of 231.19 g/mol. Its IUPAC name is 4-(2,2,3,3-tetrafluoropropylamino)pentanoic acid.

Molecular Properties

Compound Name4-(2,2,3,3-tetrafluoropropylamino)pentanoic acid
PubChem CID106289493
Molecular FormulaC8H13F4NO2
Molecular Weight231.19 g/mol
Exact Mass231.09
IUPAC Name4-(2,2,3,3-tetrafluoropropylamino)pentanoic acid
SMILESCC(CCC(=O)O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO2/c1-5(2-3-6(14)15)13-4-8(11,12)7(9)10/h5,7,13H,2-4H2,1H3,(H,14,15)
InChIKeyPOAVZMRJFNTPTG-UHFFFAOYSA-N
XLogP1.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3-tetrafluoropropylamino)pentanoic acid?
The IUPAC name of 4-(2,2,3,3-tetrafluoropropylamino)pentanoic acid (CID 106289493) is 4-(2,2,3,3-tetrafluoropropylamino)pentanoic acid.
What is the SMILES notation for 4-(2,2,3,3-tetrafluoropropylamino)pentanoic acid?
The canonical SMILES for 4-(2,2,3,3-tetrafluoropropylamino)pentanoic acid is CC(CCC(=O)O)NCC(F)(F)C(F)F.
What is the InChIKey of 4-(2,2,3,3-tetrafluoropropylamino)pentanoic acid?
The InChIKey is POAVZMRJFNTPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO2/c1-5(2-3-6(14)15)13-4-8(11,12)7(9)10/h5,7,13H,2-4H2,1H3,(H,14,15).
What are the key properties of 4-(2,2,3,3-tetrafluoropropylamino)pentanoic acid?
4-(2,2,3,3-tetrafluoropropylamino)pentanoic acid has a molecular weight of 231.19 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3-tetrafluoropropylamino)pentanoic acid is sourced from PubChem (CID 106289493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).