1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine

C11H20F3NO2 — CID 103148122

IUPAC1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESNC(CCOCC(F)(F)F)CC1CCOCC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)8-17-6-3-10(15)7-9-1-4-16-5-2-9/h9-10H,1-8,15H2
InChIKeySOVVWBTZIKYYRU-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.10
Rot. Bonds6

About 1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine

1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine (PubChem CID 103148122) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
PubChem CID103148122
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESNC(CCOCC(F)(F)F)CC1CCOCC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)8-17-6-3-10(15)7-9-1-4-16-5-2-9/h9-10H,1-8,15H2
InChIKeySOVVWBTZIKYYRU-UHFFFAOYSA-N
XLogP2.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)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

Related Compounds

2,2,2-Trifluoro-1-(tetrahydro-2H-pyran-3-YL)ethanamine
CID 63896810
1-(Oxan-3-yl)propan-1-amine
CID 65332455
4-(3,3-Difluoropropoxymethyl)cyclohexan-1-amine
CID 118523703
4-(3,3,3-Trifluoropropoxymethyl)cyclohexan-1-amine
CID 126566213
1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095682
2-Methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 61491063
3-Methyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 61491064
3-Ethyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 61491286
2-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohexan-1-amine
CID 61491363
4,4,4-Trifluoro-1-(oxan-4-yl)butan-2-amine
CID 62604263
3-Propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 62914912
4-Methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 63559791

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The IUPAC name of 1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine (CID 103148122) is 1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine.
What is the SMILES notation for 1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The canonical SMILES for 1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine is NC(CCOCC(F)(F)F)CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The InChIKey is SOVVWBTZIKYYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)8-17-6-3-10(15)7-9-1-4-16-5-2-9/h9-10H,1-8,15H2.
What are the key properties of 1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine has a molecular weight of 255.28 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine is sourced from PubChem (CID 103148122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).