methyl 2-(2,2,3,3-tetrafluoropropylamino)hexanoate

C10H17F4NO2 — CID 106294368

IUPACmethyl 2-(2,2,3,3-tetrafluoropropylamino)hexanoate
SMILESCCCCC(NCC(F)(F)C(F)F)C(=O)OC
InChIInChI=1S/C10H17F4NO2/c1-3-4-5-7(8(16)17-2)15-6-10(13,14)9(11)12/h7,9,15H,3-6H2,1-2H3
InChIKeyMNBKLINXYLNFSU-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.21
Rot. Bonds8

About methyl 2-(2,2,3,3-tetrafluoropropylamino)hexanoate

methyl 2-(2,2,3,3-tetrafluoropropylamino)hexanoate (PubChem CID 106294368) has the molecular formula C10H17F4NO2 and a molecular weight of 259.24 g/mol. Its IUPAC name is methyl 2-(2,2,3,3-tetrafluoropropylamino)hexanoate.

Molecular Properties

Compound Namemethyl 2-(2,2,3,3-tetrafluoropropylamino)hexanoate
PubChem CID106294368
Molecular FormulaC10H17F4NO2
Molecular Weight259.24 g/mol
Exact Mass259.12
IUPAC Namemethyl 2-(2,2,3,3-tetrafluoropropylamino)hexanoate
SMILESCCCCC(NCC(F)(F)C(F)F)C(=O)OC
InChIInChI=1S/C10H17F4NO2/c1-3-4-5-7(8(16)17-2)15-6-10(13,14)9(11)12/h7,9,15H,3-6H2,1-2H3
InChIKeyMNBKLINXYLNFSU-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2,3,3-tetrafluoropropylamino)hexanoic acid
CID 106294351
methyl 2-[(2,3-dihydroxy-2-methylpropyl)amino]hexanoate
CID 103255975
methyl 2-[(5-hydroxy-2,2-dimethylpentyl)amino]hexanoate
CID 106149126
methyl 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]hexanoate
CID 106248338
methyl 2-(3,3-dimethylbutylamino)hexanoate
CID 102673049
methyl 2-(but-2-ynylamino)hexanoate
CID 103868535
methyl 2-(2-bromoprop-2-enylamino)hexanoate
CID 103264452
methyl 2-[(4-amino-4-oxobutyl)amino]hexanoate
CID 103868400
methyl 2-(prop-2-enylamino)hexanoate
CID 62353105
methyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate
CID 103868418
methyl 2-(propylamino)octanoate
CID 60795997
methyl 2-[(2,2,2-trifluoroacetyl)amino]heptanoate
CID 90995953

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2,3,3-tetrafluoropropylamino)hexanoate?
The IUPAC name of methyl 2-(2,2,3,3-tetrafluoropropylamino)hexanoate (CID 106294368) is methyl 2-(2,2,3,3-tetrafluoropropylamino)hexanoate.
What is the SMILES notation for methyl 2-(2,2,3,3-tetrafluoropropylamino)hexanoate?
The canonical SMILES for methyl 2-(2,2,3,3-tetrafluoropropylamino)hexanoate is CCCCC(NCC(F)(F)C(F)F)C(=O)OC.
What is the InChIKey of methyl 2-(2,2,3,3-tetrafluoropropylamino)hexanoate?
The InChIKey is MNBKLINXYLNFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4NO2/c1-3-4-5-7(8(16)17-2)15-6-10(13,14)9(11)12/h7,9,15H,3-6H2,1-2H3.
What are the key properties of methyl 2-(2,2,3,3-tetrafluoropropylamino)hexanoate?
methyl 2-(2,2,3,3-tetrafluoropropylamino)hexanoate has a molecular weight of 259.24 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2,3,3-tetrafluoropropylamino)hexanoate is sourced from PubChem (CID 106294368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).