6-[bis(trifluoromethyl)amino]hexanoic acid

C8H11F6NO2 — CID 59928022

IUPAC6-[bis(trifluoromethyl)amino]hexanoic acid
SMILESO=C(O)CCCCCN(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO2/c9-7(10,11)15(8(12,13)14)5-3-1-2-4-6(16)17/h1-5H2,(H,16,17)
InChIKeyLQUIWEAYKUJICN-UHFFFAOYSA-N
MW267.17 g/mol
LogP2.97
Rot. Bonds6

About 6-[bis(trifluoromethyl)amino]hexanoic acid

6-[bis(trifluoromethyl)amino]hexanoic acid (PubChem CID 59928022) has the molecular formula C8H11F6NO2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 6-[bis(trifluoromethyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[bis(trifluoromethyl)amino]hexanoic acid
PubChem CID59928022
Molecular FormulaC8H11F6NO2
Molecular Weight267.17 g/mol
Exact Mass267.07
IUPAC Name6-[bis(trifluoromethyl)amino]hexanoic acid
SMILESO=C(O)CCCCCN(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO2/c9-7(10,11)15(8(12,13)14)5-3-1-2-4-6(16)17/h1-5H2,(H,16,17)
InChIKeyLQUIWEAYKUJICN-UHFFFAOYSA-N
XLogP2.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[bis(trifluoromethyl)amino]hexanoic acid?
The IUPAC name of 6-[bis(trifluoromethyl)amino]hexanoic acid (CID 59928022) is 6-[bis(trifluoromethyl)amino]hexanoic acid.
What is the SMILES notation for 6-[bis(trifluoromethyl)amino]hexanoic acid?
The canonical SMILES for 6-[bis(trifluoromethyl)amino]hexanoic acid is O=C(O)CCCCCN(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 6-[bis(trifluoromethyl)amino]hexanoic acid?
The InChIKey is LQUIWEAYKUJICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO2/c9-7(10,11)15(8(12,13)14)5-3-1-2-4-6(16)17/h1-5H2,(H,16,17).
What are the key properties of 6-[bis(trifluoromethyl)amino]hexanoic acid?
6-[bis(trifluoromethyl)amino]hexanoic acid has a molecular weight of 267.17 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(trifluoromethyl)amino]hexanoic acid is sourced from PubChem (CID 59928022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).