N,3,3-trimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine

C10H20F3NO — CID 66274791

IUPACN,3,3-trimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
SMILESCNC(COC(C)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H20F3NO/c1-7(10(11,12)13)15-6-8(14-5)9(2,3)4/h7-8,14H,6H2,1-5H3
InChIKeyAVXWVQOJUQDZCK-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.59
Rot. Bonds4

About N,3,3-trimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine

N,3,3-trimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine (PubChem CID 66274791) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is N,3,3-trimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
PubChem CID66274791
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN,3,3-trimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
SMILESCNC(COC(C)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H20F3NO/c1-7(10(11,12)13)15-6-8(14-5)9(2,3)4/h7-8,14H,6H2,1-5H3
InChIKeyAVXWVQOJUQDZCK-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,3,3-trimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-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 N,3,3-trimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
The IUPAC name of N,3,3-trimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine (CID 66274791) is N,3,3-trimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine is CNC(COC(C)C(F)(F)F)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
The InChIKey is AVXWVQOJUQDZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-7(10(11,12)13)15-6-8(14-5)9(2,3)4/h7-8,14H,6H2,1-5H3.
What are the key properties of N,3,3-trimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
N,3,3-trimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine has a molecular weight of 227.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine is sourced from PubChem (CID 66274791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).