2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-amine

C9H18F3NO — CID 66274994

IUPAC2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-amine
SMILESCC(OCCC(C)(C)CN)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(9(10,11)12)14-5-4-8(2,3)6-13/h7H,4-6,13H2,1-3H3
InChIKeyRBUWRRAUVFHPPN-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.33
Rot. Bonds5

About 2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-amine

2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-amine (PubChem CID 66274994) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-amine
PubChem CID66274994
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-amine
SMILESCC(OCCC(C)(C)CN)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(9(10,11)12)14-5-4-8(2,3)6-13/h7H,4-6,13H2,1-3H3
InChIKeyRBUWRRAUVFHPPN-UHFFFAOYSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-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 2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-amine?
The IUPAC name of 2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-amine (CID 66274994) is 2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-amine is CC(OCCC(C)(C)CN)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-amine?
The InChIKey is RBUWRRAUVFHPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-7(9(10,11)12)14-5-4-8(2,3)6-13/h7H,4-6,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-amine?
2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-amine has a molecular weight of 213.24 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-amine is sourced from PubChem (CID 66274994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).