3-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-2-amine

C11H22F3NO — CID 62914912

IUPAC3-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
SMILESCC(C)C(CCCOCC(F)(F)F)C(C)N
InChIInChI=1S/C11H22F3NO/c1-8(2)10(9(3)15)5-4-6-16-7-11(12,13)14/h8-10H,4-7,15H2,1-3H3
InChIKeyLYJFMEDZCKBNMJ-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.96
Rot. Bonds7

About 3-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-2-amine

3-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-2-amine (PubChem CID 62914912) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 3-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-2-amine.

Molecular Properties

Compound Name3-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
PubChem CID62914912
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name3-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
SMILESCC(C)C(CCCOCC(F)(F)F)C(C)N
InChIInChI=1S/C11H22F3NO/c1-8(2)10(9(3)15)5-4-6-16-7-11(12,13)14/h8-10H,4-7,15H2,1-3H3
InChIKeyLYJFMEDZCKBNMJ-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.96
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 3-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-2-amine?
The IUPAC name of 3-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-2-amine (CID 62914912) is 3-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-2-amine.
What is the SMILES notation for 3-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-2-amine?
The canonical SMILES for 3-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-2-amine is CC(C)C(CCCOCC(F)(F)F)C(C)N.
What is the InChIKey of 3-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-2-amine?
The InChIKey is LYJFMEDZCKBNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-8(2)10(9(3)15)5-4-6-16-7-11(12,13)14/h8-10H,4-7,15H2,1-3H3.
What are the key properties of 3-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-2-amine?
3-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-2-amine has a molecular weight of 241.30 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-2-amine is sourced from PubChem (CID 62914912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).