N-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C11H20F3NO2 — CID 114184139

IUPACN-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESC=CCCOCCNCCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-2-3-7-16-9-6-15-5-4-8-17-10-11(12,13)14/h2,15H,1,3-10H2
InChIKeyRRBWDDNPPWCFKH-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.14
Rot. Bonds11

About N-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 114184139) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID114184139
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESC=CCCOCCNCCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-2-3-7-16-9-6-15-5-4-8-17-10-11(12,13)14/h2,15H,1,3-10H2
InChIKeyRRBWDDNPPWCFKH-UHFFFAOYSA-N
XLogP2.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62599036
N-(2-but-3-enoxyethyl)-2,2,2-trifluoroethanamine
CID 62599212
N-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 64314222
N-[2-(2,2,2-trifluoroethoxy)ethyl]pent-4-en-1-amine
CID 64314223
2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 79113167
2,2,2-trifluoro-N-(2-pent-4-enoxyethyl)ethanamine
CID 79114123
N-ethyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103214750
N-propyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103214756
N-propyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215667
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
CID 103475903
N-[2-(2,2-difluoroethoxy)ethyl]but-3-en-1-amine
CID 105910037
N-[2-(2,2-difluoroethoxy)ethyl]hept-6-en-1-amine
CID 105910158

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 114184139) is N-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is C=CCCOCCNCCCOCC(F)(F)F.
What is the InChIKey of N-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is RRBWDDNPPWCFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-2-3-7-16-9-6-15-5-4-8-17-10-11(12,13)14/h2,15H,1,3-10H2.
What are the key properties of N-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 255.28 g/mol, XLogP of 2.14, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 114184139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).