N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine

C17H27F4NO2 — CID 159376270

IUPACN-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine
SMILESC=CCC(CC=C)(CC=C)CNCC(F)(F)OC(F)(F)COCC
InChIInChI=1S/C17H27F4NO2/c1-5-9-15(10-6-2,11-7-3)12-22-13-16(18,19)24-17(20,21)14-23-8-4/h5-7,22H,1-3,8-14H2,4H3
InChIKeyUFDSPQPYEIAESP-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.53
Rot. Bonds15

About N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine

N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine (PubChem CID 159376270) has the molecular formula C17H27F4NO2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine
PubChem CID159376270
Molecular FormulaC17H27F4NO2
Molecular Weight353.40 g/mol
Exact Mass353.20
IUPAC NameN-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine
SMILESC=CCC(CC=C)(CC=C)CNCC(F)(F)OC(F)(F)COCC
InChIInChI=1S/C17H27F4NO2/c1-5-9-15(10-6-2,11-7-3)12-22-13-16(18,19)24-17(20,21)14-23-8-4/h5-7,22H,1-3,8-14H2,4H3
InChIKeyUFDSPQPYEIAESP-UHFFFAOYSA-N
XLogP4.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine?
The IUPAC name of N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine (CID 159376270) is N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine.
What is the SMILES notation for N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine?
The canonical SMILES for N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine is C=CCC(CC=C)(CC=C)CNCC(F)(F)OC(F)(F)COCC.
What is the InChIKey of N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine?
The InChIKey is UFDSPQPYEIAESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F4NO2/c1-5-9-15(10-6-2,11-7-3)12-22-13-16(18,19)24-17(20,21)14-23-8-4/h5-7,22H,1-3,8-14H2,4H3.
What are the key properties of N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine?
N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine has a molecular weight of 353.40 g/mol, XLogP of 4.53, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroethyl]-2,2-bis(prop-2-enyl)pent-4-en-1-amine is sourced from PubChem (CID 159376270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).