2,2-dimethyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid

C13H24F3NO2 — CID 106713942

IUPAC2,2-dimethyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid
SMILESCCCN(CCCCC(C)(C)C(=O)O)CC(F)(F)F
InChIInChI=1S/C13H24F3NO2/c1-4-8-17(10-13(14,15)16)9-6-5-7-12(2,3)11(18)19/h4-10H2,1-3H3,(H,18,19)
InChIKeyATXKDIDSWOPVCH-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.54
Rot. Bonds9

About 2,2-dimethyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid

2,2-dimethyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid (PubChem CID 106713942) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2,2-dimethyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid
PubChem CID106713942
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name2,2-dimethyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid
SMILESCCCN(CCCCC(C)(C)C(=O)O)CC(F)(F)F
InChIInChI=1S/C13H24F3NO2/c1-4-8-17(10-13(14,15)16)9-6-5-7-12(2,3)11(18)19/h4-10H2,1-3H3,(H,18,19)
InChIKeyATXKDIDSWOPVCH-UHFFFAOYSA-N
XLogP3.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 62272694
6-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylhexanoic acid
CID 106713981
2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanethioamide
CID 65259742
2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol
CID 64825496
2,2-dimethyldocosanoic acid
CID 23471202
6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid
CID 106713898
2-[decyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266101
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074
4-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylbutanoic acid
CID 65248284
magnesium;2,2-dimethyloctanoic acid;hydride
CID 173414745
2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)pentanoic acid
CID 106805906

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid?
The IUPAC name of 2,2-dimethyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid (CID 106713942) is 2,2-dimethyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid.
What is the SMILES notation for 2,2-dimethyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid?
The canonical SMILES for 2,2-dimethyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid is CCCN(CCCCC(C)(C)C(=O)O)CC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid?
The InChIKey is ATXKDIDSWOPVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-4-8-17(10-13(14,15)16)9-6-5-7-12(2,3)11(18)19/h4-10H2,1-3H3,(H,18,19).
What are the key properties of 2,2-dimethyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid?
2,2-dimethyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid has a molecular weight of 283.33 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid is sourced from PubChem (CID 106713942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).