N,N-bis(2-fluoroethyl)-4-[(4-methoxyphenyl)iminomethyl]aniline

C18H20F2N2O — CID 14702

IUPACN,N-bis(2-fluoroethyl)-4-[(4-methoxyphenyl)iminomethyl]aniline
SMILESCOc1ccc(/N=C/c2ccc(N(CCF)CCF)cc2)cc1
InChIInChI=1S/C18H20F2N2O/c1-23-18-8-4-16(5-9-18)21-14-15-2-6-17(7-3-15)22(12-10-19)13-11-20/h2-9,14H,10-13H2,1H3/b21-14+
InChIKeyTXIKIDUIDJOZHZ-KGENOOAVSA-N
MW318.37 g/mol
LogP4.19
Rot. Bonds8

About N,N-bis(2-fluoroethyl)-4-[(4-methoxyphenyl)iminomethyl]aniline

N,N-bis(2-fluoroethyl)-4-[(4-methoxyphenyl)iminomethyl]aniline (PubChem CID 14702) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is N,N-bis(2-fluoroethyl)-4-[(4-methoxyphenyl)iminomethyl]aniline.

Molecular Properties

Compound NameN,N-bis(2-fluoroethyl)-4-[(4-methoxyphenyl)iminomethyl]aniline
PubChem CID14702
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC NameN,N-bis(2-fluoroethyl)-4-[(4-methoxyphenyl)iminomethyl]aniline
SMILESCOc1ccc(/N=C/c2ccc(N(CCF)CCF)cc2)cc1
InChIInChI=1S/C18H20F2N2O/c1-23-18-8-4-16(5-9-18)21-14-15-2-6-17(7-3-15)22(12-10-19)13-11-20/h2-9,14H,10-13H2,1H3/b21-14+
InChIKeyTXIKIDUIDJOZHZ-KGENOOAVSA-N
XLogP4.19
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-fluoroethyl)-4-[(4-methoxyphenyl)iminomethyl]aniline?
The IUPAC name of N,N-bis(2-fluoroethyl)-4-[(4-methoxyphenyl)iminomethyl]aniline (CID 14702) is N,N-bis(2-fluoroethyl)-4-[(4-methoxyphenyl)iminomethyl]aniline.
What is the SMILES notation for N,N-bis(2-fluoroethyl)-4-[(4-methoxyphenyl)iminomethyl]aniline?
The canonical SMILES for N,N-bis(2-fluoroethyl)-4-[(4-methoxyphenyl)iminomethyl]aniline is COc1ccc(/N=C/c2ccc(N(CCF)CCF)cc2)cc1.
What is the InChIKey of N,N-bis(2-fluoroethyl)-4-[(4-methoxyphenyl)iminomethyl]aniline?
The InChIKey is TXIKIDUIDJOZHZ-KGENOOAVSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-23-18-8-4-16(5-9-18)21-14-15-2-6-17(7-3-15)22(12-10-19)13-11-20/h2-9,14H,10-13H2,1H3/b21-14+.
What are the key properties of N,N-bis(2-fluoroethyl)-4-[(4-methoxyphenyl)iminomethyl]aniline?
N,N-bis(2-fluoroethyl)-4-[(4-methoxyphenyl)iminomethyl]aniline has a molecular weight of 318.37 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-fluoroethyl)-4-[(4-methoxyphenyl)iminomethyl]aniline is sourced from PubChem (CID 14702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).