4-[2-[4-[1-(2-fluoroethoxy)ethyl]phenyl]ethynyl]-N,N-dimethylaniline

C20H22FNO — CID 143693540

IUPAC4-[2-[4-[1-(2-fluoroethoxy)ethyl]phenyl]ethynyl]-N,N-dimethylaniline
SMILESCC(OCCF)c1ccc(C#Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H22FNO/c1-16(23-15-14-21)19-10-6-17(7-11-19)4-5-18-8-12-20(13-9-18)22(2)3/h6-13,16H,14-15H2,1-3H3
InChIKeyUVMWPJBDGGIJRA-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.20
Rot. Bonds5

About 4-[2-[4-[1-(2-fluoroethoxy)ethyl]phenyl]ethynyl]-N,N-dimethylaniline

4-[2-[4-[1-(2-fluoroethoxy)ethyl]phenyl]ethynyl]-N,N-dimethylaniline (PubChem CID 143693540) has the molecular formula C20H22FNO and a molecular weight of 311.40 g/mol. Its IUPAC name is 4-[2-[4-[1-(2-fluoroethoxy)ethyl]phenyl]ethynyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[4-[1-(2-fluoroethoxy)ethyl]phenyl]ethynyl]-N,N-dimethylaniline
PubChem CID143693540
Molecular FormulaC20H22FNO
Molecular Weight311.40 g/mol
Exact Mass311.17
IUPAC Name4-[2-[4-[1-(2-fluoroethoxy)ethyl]phenyl]ethynyl]-N,N-dimethylaniline
SMILESCC(OCCF)c1ccc(C#Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H22FNO/c1-16(23-15-14-21)19-10-6-17(7-11-19)4-5-18-8-12-20(13-9-18)22(2)3/h6-13,16H,14-15H2,1-3H3
InChIKeyUVMWPJBDGGIJRA-UHFFFAOYSA-N
XLogP4.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[1-(2-fluoroethoxy)ethyl]phenyl]ethynyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[4-[1-(2-fluoroethoxy)ethyl]phenyl]ethynyl]-N,N-dimethylaniline (CID 143693540) is 4-[2-[4-[1-(2-fluoroethoxy)ethyl]phenyl]ethynyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[4-[1-(2-fluoroethoxy)ethyl]phenyl]ethynyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[4-[1-(2-fluoroethoxy)ethyl]phenyl]ethynyl]-N,N-dimethylaniline is CC(OCCF)c1ccc(C#Cc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[2-[4-[1-(2-fluoroethoxy)ethyl]phenyl]ethynyl]-N,N-dimethylaniline?
The InChIKey is UVMWPJBDGGIJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO/c1-16(23-15-14-21)19-10-6-17(7-11-19)4-5-18-8-12-20(13-9-18)22(2)3/h6-13,16H,14-15H2,1-3H3.
What are the key properties of 4-[2-[4-[1-(2-fluoroethoxy)ethyl]phenyl]ethynyl]-N,N-dimethylaniline?
4-[2-[4-[1-(2-fluoroethoxy)ethyl]phenyl]ethynyl]-N,N-dimethylaniline has a molecular weight of 311.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[1-(2-fluoroethoxy)ethyl]phenyl]ethynyl]-N,N-dimethylaniline is sourced from PubChem (CID 143693540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).