N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine

C11H22F3NO — CID 63560784

IUPACN-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCCNC(CC)C(C)CCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-10(15-5-2)9(3)6-7-16-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyVWOQIUJTXPNJEE-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.98
Rot. Bonds8

About N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine

N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine (PubChem CID 63560784) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
PubChem CID63560784
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC NameN-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCCNC(CC)C(C)CCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-10(15-5-2)9(3)6-7-16-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyVWOQIUJTXPNJEE-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine?
The IUPAC name of N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine (CID 63560784) is N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine.
What is the SMILES notation for N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine?
The canonical SMILES for N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine is CCNC(CC)C(C)CCOCC(F)(F)F.
What is the InChIKey of N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine?
The InChIKey is VWOQIUJTXPNJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-4-10(15-5-2)9(3)6-7-16-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine?
N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine has a molecular weight of 241.30 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine is sourced from PubChem (CID 63560784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).