4-[3-(diethylamino)prop-1-enyl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline

C15H20F4N2 — CID 2961321

IUPAC4-[3-(diethylamino)prop-1-enyl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline
SMILESCCN(CC)CC=Cc1c(F)c(F)c(N(C)C)c(F)c1F
InChIInChI=1S/C15H20F4N2/c1-5-21(6-2)9-7-8-10-11(16)13(18)15(20(3)4)14(19)12(10)17/h7-8H,5-6,9H2,1-4H3
InChIKeyUTLRLYMNIMVTTR-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.66
Rot. Bonds6

About 4-[3-(diethylamino)prop-1-enyl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline

4-[3-(diethylamino)prop-1-enyl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline (PubChem CID 2961321) has the molecular formula C15H20F4N2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 4-[3-(diethylamino)prop-1-enyl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[3-(diethylamino)prop-1-enyl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline
PubChem CID2961321
Molecular FormulaC15H20F4N2
Molecular Weight304.33 g/mol
Exact Mass304.16
IUPAC Name4-[3-(diethylamino)prop-1-enyl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline
SMILESCCN(CC)CC=Cc1c(F)c(F)c(N(C)C)c(F)c1F
InChIInChI=1S/C15H20F4N2/c1-5-21(6-2)9-7-8-10-11(16)13(18)15(20(3)4)14(19)12(10)17/h7-8H,5-6,9H2,1-4H3
InChIKeyUTLRLYMNIMVTTR-UHFFFAOYSA-N
XLogP3.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)prop-1-enyl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline?
The IUPAC name of 4-[3-(diethylamino)prop-1-enyl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline (CID 2961321) is 4-[3-(diethylamino)prop-1-enyl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline.
What is the SMILES notation for 4-[3-(diethylamino)prop-1-enyl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline?
The canonical SMILES for 4-[3-(diethylamino)prop-1-enyl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline is CCN(CC)CC=Cc1c(F)c(F)c(N(C)C)c(F)c1F.
What is the InChIKey of 4-[3-(diethylamino)prop-1-enyl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline?
The InChIKey is UTLRLYMNIMVTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2/c1-5-21(6-2)9-7-8-10-11(16)13(18)15(20(3)4)14(19)12(10)17/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 4-[3-(diethylamino)prop-1-enyl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline?
4-[3-(diethylamino)prop-1-enyl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline has a molecular weight of 304.33 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)prop-1-enyl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline is sourced from PubChem (CID 2961321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).