2-(2-ethylhexoxy)-3,3,3-trifluoropropan-1-amine

C11H22F3NO — CID 43752959

IUPAC2-(2-ethylhexoxy)-3,3,3-trifluoropropan-1-amine
SMILESCCCCC(CC)COC(CN)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-5-6-9(4-2)8-16-10(7-15)11(12,13)14/h9-10H,3-8,15H2,1-2H3
InChIKeyNGZBBOGMEYGYTH-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.11
Rot. Bonds8

About 2-(2-ethylhexoxy)-3,3,3-trifluoropropan-1-amine

2-(2-ethylhexoxy)-3,3,3-trifluoropropan-1-amine (PubChem CID 43752959) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(2-ethylhexoxy)-3,3,3-trifluoropropan-1-amine
PubChem CID43752959
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name2-(2-ethylhexoxy)-3,3,3-trifluoropropan-1-amine
SMILESCCCCC(CC)COC(CN)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-5-6-9(4-2)8-16-10(7-15)11(12,13)14/h9-10H,3-8,15H2,1-2H3
InChIKeyNGZBBOGMEYGYTH-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxy)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(2-ethylhexoxy)-3,3,3-trifluoropropan-1-amine (CID 43752959) is 2-(2-ethylhexoxy)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(2-ethylhexoxy)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(2-ethylhexoxy)-3,3,3-trifluoropropan-1-amine is CCCCC(CC)COC(CN)C(F)(F)F.
What is the InChIKey of 2-(2-ethylhexoxy)-3,3,3-trifluoropropan-1-amine?
The InChIKey is NGZBBOGMEYGYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-3-5-6-9(4-2)8-16-10(7-15)11(12,13)14/h9-10H,3-8,15H2,1-2H3.
What are the key properties of 2-(2-ethylhexoxy)-3,3,3-trifluoropropan-1-amine?
2-(2-ethylhexoxy)-3,3,3-trifluoropropan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxy)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 43752959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).