N-ethyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine

C9H18F3NO — CID 64706655

IUPACN-ethyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine
SMILESCCNC(C)CC(C)OCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-4-13-7(2)5-8(3)14-6-9(10,11)12/h7-8,13H,4-6H2,1-3H3
InChIKeyBPMJOVNNNZUFSX-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.34
Rot. Bonds6

About N-ethyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine

N-ethyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine (PubChem CID 64706655) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is N-ethyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine
PubChem CID64706655
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC NameN-ethyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine
SMILESCCNC(C)CC(C)OCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-4-13-7(2)5-8(3)14-6-9(10,11)12/h7-8,13H,4-6H2,1-3H3
InChIKeyBPMJOVNNNZUFSX-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-4-(2,2,2-trifluoroethoxy)pentan-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

N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491037
N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
CID 66356960
3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 82670782
4-(4,4,4-Trifluorobutoxy)piperidine
CID 115514539
[2,2-Difluoro-3-(propan-2-yloxy)propyl](ethyl)amine
CID 134579334
2-fluoro-2-methyl-N-propan-2-yl-3-propan-2-yloxypropan-1-amine
CID 134581779
[3-(Tert-butoxy)-2,2-difluoropropyl](propan-2-yl)amine
CID 135173990
N-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 142009793
N'-ethyl-N'-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-N-(trifluoromethyl)ethane-1,2-diamine
CID 145366179
5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine
CID 146587519
N-propan-2-yl-3-(trifluoromethoxy)cyclobutan-1-amine
CID 155138949
4,4,4-trifluoro-3-methoxy-N-propan-2-ylbutan-1-amine
CID 155139108

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine?
The IUPAC name of N-ethyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine (CID 64706655) is N-ethyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine?
The canonical SMILES for N-ethyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine is CCNC(C)CC(C)OCC(F)(F)F.
What is the InChIKey of N-ethyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine?
The InChIKey is BPMJOVNNNZUFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-4-13-7(2)5-8(3)14-6-9(10,11)12/h7-8,13H,4-6H2,1-3H3.
What are the key properties of N-ethyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine?
N-ethyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine has a molecular weight of 213.24 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine is sourced from PubChem (CID 64706655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).