2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine

C10H18F3NO — CID 79113167

IUPAC2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESC=CCCCOC(C)CNCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-4-5-6-15-9(2)7-14-8-10(11,12)13/h3,9,14H,1,4-8H2,2H3
InChIKeyDXMSHQGFGNIEON-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.51
Rot. Bonds8

About 2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine

2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 79113167) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID79113167
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESC=CCCCOC(C)CNCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-4-5-6-15-9(2)7-14-8-10(11,12)13/h3,9,14H,1,4-8H2,2H3
InChIKeyDXMSHQGFGNIEON-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 2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-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

2-(8,8-difluorodec-1-en-5-yloxy)-N-methylethanamine
CID 156282478
N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62566867
2-prop-2-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62570819
N-prop-2-enyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine
CID 62597992
2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62599036
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63828549
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
N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]prop-2-en-1-amine
CID 66276422
N-prop-2-enyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine
CID 66276840
2,2,2-trifluoro-N-(2-pent-4-enoxyethyl)ethanamine
CID 79114123
7,7,7-trifluoro-N-(2-methoxyethyl)hept-3-en-1-amine
CID 79599700

Frequently Asked Questions

What is the IUPAC name of 2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 79113167) is 2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine is C=CCCCOC(C)CNCC(F)(F)F.
What is the InChIKey of 2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is DXMSHQGFGNIEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-3-4-5-6-15-9(2)7-14-8-10(11,12)13/h3,9,14H,1,4-8H2,2H3.
What are the key properties of 2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-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 2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 79113167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).