2-(ethylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid

C9H15F4NO3 — CID 55143379

IUPAC2-(ethylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid
SMILESCCNC(CCOCC(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C9H15F4NO3/c1-2-14-6(7(15)16)3-4-17-5-9(12,13)8(10)11/h6,8,14H,2-5H2,1H3,(H,15,16)
InChIKeyAVJSTMKITHKWHV-UHFFFAOYSA-N
MW261.21 g/mol
LogP1.36
Rot. Bonds9

About 2-(ethylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid

2-(ethylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid (PubChem CID 55143379) has the molecular formula C9H15F4NO3 and a molecular weight of 261.21 g/mol. Its IUPAC name is 2-(ethylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid
PubChem CID55143379
Molecular FormulaC9H15F4NO3
Molecular Weight261.21 g/mol
Exact Mass261.10
IUPAC Name2-(ethylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid
SMILESCCNC(CCOCC(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C9H15F4NO3/c1-2-14-6(7(15)16)3-4-17-5-9(12,13)8(10)11/h6,8,14H,2-5H2,1H3,(H,15,16)
InChIKeyAVJSTMKITHKWHV-UHFFFAOYSA-N
XLogP1.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid?
The IUPAC name of 2-(ethylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid (CID 55143379) is 2-(ethylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid.
What is the SMILES notation for 2-(ethylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid?
The canonical SMILES for 2-(ethylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid is CCNC(CCOCC(F)(F)C(F)F)C(=O)O.
What is the InChIKey of 2-(ethylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid?
The InChIKey is AVJSTMKITHKWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO3/c1-2-14-6(7(15)16)3-4-17-5-9(12,13)8(10)11/h6,8,14H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-(ethylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid?
2-(ethylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid has a molecular weight of 261.21 g/mol, XLogP of 1.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanoic acid is sourced from PubChem (CID 55143379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).