N-ethyl-6,6,6-trifluoro-1-propan-2-yloxyhexan-2-amine

C11H22F3NO — CID 105174459

IUPACN-ethyl-6,6,6-trifluoro-1-propan-2-yloxyhexan-2-amine
SMILESCCNC(CCCC(F)(F)F)COC(C)C
InChIInChI=1S/C11H22F3NO/c1-4-15-10(8-16-9(2)3)6-5-7-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyLVAZACMGWLTYSC-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds8

About N-ethyl-6,6,6-trifluoro-1-propan-2-yloxyhexan-2-amine

N-ethyl-6,6,6-trifluoro-1-propan-2-yloxyhexan-2-amine (PubChem CID 105174459) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is N-ethyl-6,6,6-trifluoro-1-propan-2-yloxyhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-6,6,6-trifluoro-1-propan-2-yloxyhexan-2-amine
PubChem CID105174459
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC NameN-ethyl-6,6,6-trifluoro-1-propan-2-yloxyhexan-2-amine
SMILESCCNC(CCCC(F)(F)F)COC(C)C
InChIInChI=1S/C11H22F3NO/c1-4-15-10(8-16-9(2)3)6-5-7-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyLVAZACMGWLTYSC-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,6,6-trifluoro-1-propan-2-yloxyhexan-2-amine?
The IUPAC name of N-ethyl-6,6,6-trifluoro-1-propan-2-yloxyhexan-2-amine (CID 105174459) is N-ethyl-6,6,6-trifluoro-1-propan-2-yloxyhexan-2-amine.
What is the SMILES notation for N-ethyl-6,6,6-trifluoro-1-propan-2-yloxyhexan-2-amine?
The canonical SMILES for N-ethyl-6,6,6-trifluoro-1-propan-2-yloxyhexan-2-amine is CCNC(CCCC(F)(F)F)COC(C)C.
What is the InChIKey of N-ethyl-6,6,6-trifluoro-1-propan-2-yloxyhexan-2-amine?
The InChIKey is LVAZACMGWLTYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-4-15-10(8-16-9(2)3)6-5-7-11(12,13)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of N-ethyl-6,6,6-trifluoro-1-propan-2-yloxyhexan-2-amine?
N-ethyl-6,6,6-trifluoro-1-propan-2-yloxyhexan-2-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,6,6-trifluoro-1-propan-2-yloxyhexan-2-amine is sourced from PubChem (CID 105174459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).