N,2,2-trimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine

C11H22F3NO — CID 61490746

IUPACN,2,2-trimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCNC(CCCOCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H22F3NO/c1-10(2,3)9(15-4)6-5-7-16-8-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyKFGSKBWIFQHKJR-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.98
Rot. Bonds6

About N,2,2-trimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine

N,2,2-trimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine (PubChem CID 61490746) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is N,2,2-trimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
PubChem CID61490746
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC NameN,2,2-trimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCNC(CCCOCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H22F3NO/c1-10(2,3)9(15-4)6-5-7-16-8-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyKFGSKBWIFQHKJR-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.98
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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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine?
The IUPAC name of N,2,2-trimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine (CID 61490746) is N,2,2-trimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine.
What is the SMILES notation for N,2,2-trimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine?
The canonical SMILES for N,2,2-trimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine is CNC(CCCOCC(F)(F)F)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine?
The InChIKey is KFGSKBWIFQHKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-10(2,3)9(15-4)6-5-7-16-8-11(12,13)14/h9,15H,5-8H2,1-4H3.
What are the key properties of N,2,2-trimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine?
N,2,2-trimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine has a molecular weight of 241.30 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine is sourced from PubChem (CID 61490746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).