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

C11H20F3NO — CID 103075042

IUPACN-propan-2-yl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)C)COCCCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-9(2)15-7-10(3)8-16-6-4-5-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyDXWASWVQMQWKAL-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.90
Rot. Bonds8

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

N-propan-2-yl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine (PubChem CID 103075042) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-propan-2-yl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
PubChem CID103075042
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-propan-2-yl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)C)COCCCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-9(2)15-7-10(3)8-16-6-4-5-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyDXWASWVQMQWKAL-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.90
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-propan-2-yl-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

1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 102870149
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-[2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074496
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

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-propan-2-yl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine (CID 103075042) is N-propan-2-yl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-propan-2-yl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-propan-2-yl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine is C=C(CNC(C)C)COCCCC(F)(F)F.
What is the InChIKey of N-propan-2-yl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine?
The InChIKey is DXWASWVQMQWKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9(2)15-7-10(3)8-16-6-4-5-11(12,13)14/h9,15H,3-8H2,1-2H3.
What are the key properties of N-propan-2-yl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine?
N-propan-2-yl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103075042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).