5,5-dimethyl-4-(3,3,3-trifluoropropoxy)hexan-3-amine

C11H22F3NO — CID 82954587

IUPAC5,5-dimethyl-4-(3,3,3-trifluoropropoxy)hexan-3-amine
SMILESCCC(N)C(OCCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H22F3NO/c1-5-8(15)9(10(2,3)4)16-7-6-11(12,13)14/h8-9H,5-7,15H2,1-4H3
InChIKeyHQKAXSAJSWYXMN-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.11
Rot. Bonds5

About 5,5-dimethyl-4-(3,3,3-trifluoropropoxy)hexan-3-amine

5,5-dimethyl-4-(3,3,3-trifluoropropoxy)hexan-3-amine (PubChem CID 82954587) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 5,5-dimethyl-4-(3,3,3-trifluoropropoxy)hexan-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-4-(3,3,3-trifluoropropoxy)hexan-3-amine
PubChem CID82954587
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name5,5-dimethyl-4-(3,3,3-trifluoropropoxy)hexan-3-amine
SMILESCCC(N)C(OCCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H22F3NO/c1-5-8(15)9(10(2,3)4)16-7-6-11(12,13)14/h8-9H,5-7,15H2,1-4H3
InChIKeyHQKAXSAJSWYXMN-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Analyze 5,5-dimethyl-4-(3,3,3-trifluoropropoxy)hexan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-(3,3,3-trifluoropropoxy)hexan-3-amine?
The IUPAC name of 5,5-dimethyl-4-(3,3,3-trifluoropropoxy)hexan-3-amine (CID 82954587) is 5,5-dimethyl-4-(3,3,3-trifluoropropoxy)hexan-3-amine.
What is the SMILES notation for 5,5-dimethyl-4-(3,3,3-trifluoropropoxy)hexan-3-amine?
The canonical SMILES for 5,5-dimethyl-4-(3,3,3-trifluoropropoxy)hexan-3-amine is CCC(N)C(OCCC(F)(F)F)C(C)(C)C.
What is the InChIKey of 5,5-dimethyl-4-(3,3,3-trifluoropropoxy)hexan-3-amine?
The InChIKey is HQKAXSAJSWYXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-5-8(15)9(10(2,3)4)16-7-6-11(12,13)14/h8-9H,5-7,15H2,1-4H3.
What are the key properties of 5,5-dimethyl-4-(3,3,3-trifluoropropoxy)hexan-3-amine?
5,5-dimethyl-4-(3,3,3-trifluoropropoxy)hexan-3-amine has a molecular weight of 241.30 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-(3,3,3-trifluoropropoxy)hexan-3-amine is sourced from PubChem (CID 82954587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).