N-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine

C10H18F3NO — CID 103075039

IUPACN-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COCCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-14-7-9(2)8-15-6-4-5-10(11,12)13/h14H,2-8H2,1H3
InChIKeyKSBURHZKSVTKOP-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.51
Rot. Bonds8

About N-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine

N-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine (PubChem CID 103075039) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
PubChem CID103075039
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COCCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-14-7-9(2)8-15-6-4-5-10(11,12)13/h14H,2-8H2,1H3
InChIKeyKSBURHZKSVTKOP-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-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

Related Compounds

N-ethyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074342
N-[2-(2,2,2-trifluoroethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074343
N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074344
N-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074345
N-propyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074346
N-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074348
N-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074495
N-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074497
N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074498
N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074499
N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074501
N-ethyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074886

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine (CID 103075039) is N-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine is C=C(CNCC)COCCCC(F)(F)F.
What is the InChIKey of N-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine?
The InChIKey is KSBURHZKSVTKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-3-14-7-9(2)8-15-6-4-5-10(11,12)13/h14H,2-8H2,1H3.
What are the key properties of N-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine?
N-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103075039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).