5,5-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)hexan-3-amine

C11H22F3NO — CID 66276061

IUPAC5,5-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)hexan-3-amine
SMILESCCC(N)C(OC(C)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H22F3NO/c1-6-8(15)9(10(3,4)5)16-7(2)11(12,13)14/h7-9H,6,15H2,1-5H3
InChIKeyQTNJPJOZEKESCW-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.11
Rot. Bonds4

About 5,5-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)hexan-3-amine

5,5-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)hexan-3-amine (PubChem CID 66276061) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 5,5-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)hexan-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)hexan-3-amine
PubChem CID66276061
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name5,5-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)hexan-3-amine
SMILESCCC(N)C(OC(C)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H22F3NO/c1-6-8(15)9(10(3,4)5)16-7(2)11(12,13)14/h7-9H,6,15H2,1-5H3
InChIKeyQTNJPJOZEKESCW-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 5,5-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)hexan-3-amine?
The IUPAC name of 5,5-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)hexan-3-amine (CID 66276061) is 5,5-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)hexan-3-amine.
What is the SMILES notation for 5,5-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)hexan-3-amine?
The canonical SMILES for 5,5-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)hexan-3-amine is CCC(N)C(OC(C)C(F)(F)F)C(C)(C)C.
What is the InChIKey of 5,5-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)hexan-3-amine?
The InChIKey is QTNJPJOZEKESCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-6-8(15)9(10(3,4)5)16-7(2)11(12,13)14/h7-9H,6,15H2,1-5H3.
What are the key properties of 5,5-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)hexan-3-amine?
5,5-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)hexan-3-amine has a molecular weight of 241.30 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)hexan-3-amine is sourced from PubChem (CID 66276061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).