2-(2,2,3,3-tetrafluoropropylamino)hexanoic acid

C9H15F4NO2 — CID 106294351

IUPAC2-(2,2,3,3-tetrafluoropropylamino)hexanoic acid
SMILESCCCCC(NCC(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C9H15F4NO2/c1-2-3-4-6(7(15)16)14-5-9(12,13)8(10)11/h6,8,14H,2-5H2,1H3,(H,15,16)
InChIKeyQRLDAQAKADUDTR-UHFFFAOYSA-N
MW245.22 g/mol
LogP2.12
Rot. Bonds8

About 2-(2,2,3,3-tetrafluoropropylamino)hexanoic acid

2-(2,2,3,3-tetrafluoropropylamino)hexanoic acid (PubChem CID 106294351) has the molecular formula C9H15F4NO2 and a molecular weight of 245.22 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropylamino)hexanoic acid.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropylamino)hexanoic acid
PubChem CID106294351
Molecular FormulaC9H15F4NO2
Molecular Weight245.22 g/mol
Exact Mass245.10
IUPAC Name2-(2,2,3,3-tetrafluoropropylamino)hexanoic acid
SMILESCCCCC(NCC(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C9H15F4NO2/c1-2-3-4-6(7(15)16)14-5-9(12,13)8(10)11/h6,8,14H,2-5H2,1H3,(H,15,16)
InChIKeyQRLDAQAKADUDTR-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2,2,3,3-tetrafluoropropylamino)hexanoate
CID 106294368
2-(2,2-dimethylheptylamino)hexanoic acid
CID 103259108
2-[[3-oxo-3-(2,2,2-trifluoroethylamino)propanoyl]amino]hexanoic acid
CID 120537909
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
2-(dodecylamino)hexanoic acid
CID 139637216
2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid
CID 103238421
2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid
CID 103231211
(2S)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]hexanoic acid
CID 107144480
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
2-(2,2,2-trifluoroethoxyamino)hexanoic acid
CID 103261646
(2S)-2-[(3,3,3-trifluoro-2-methylpropanoyl)amino]hexanoic acid
CID 120614475
5-methoxy-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)pentanoic acid
CID 106295178

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropylamino)hexanoic acid?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropylamino)hexanoic acid (CID 106294351) is 2-(2,2,3,3-tetrafluoropropylamino)hexanoic acid.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropylamino)hexanoic acid?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropylamino)hexanoic acid is CCCCC(NCC(F)(F)C(F)F)C(=O)O.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropylamino)hexanoic acid?
The InChIKey is QRLDAQAKADUDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO2/c1-2-3-4-6(7(15)16)14-5-9(12,13)8(10)11/h6,8,14H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-(2,2,3,3-tetrafluoropropylamino)hexanoic acid?
2-(2,2,3,3-tetrafluoropropylamino)hexanoic acid has a molecular weight of 245.22 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropylamino)hexanoic acid is sourced from PubChem (CID 106294351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).