4-fluoro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]aniline

C20H16F3N — CID 102369575

IUPAC4-fluoro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]aniline
SMILESCC(c1ccccc1F)N(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H16F3N/c1-14(19-4-2-3-5-20(19)23)24(17-10-6-15(21)7-11-17)18-12-8-16(22)9-13-18/h2-14H,1H3
InChIKeyUMBQYEWIKFHHAV-UHFFFAOYSA-N
MW327.35 g/mol
LogP6.00
Rot. Bonds4

About 4-fluoro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]aniline

4-fluoro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]aniline (PubChem CID 102369575) has the molecular formula C20H16F3N and a molecular weight of 327.35 g/mol. Its IUPAC name is 4-fluoro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]aniline
PubChem CID102369575
Molecular FormulaC20H16F3N
Molecular Weight327.35 g/mol
Exact Mass327.12
IUPAC Name4-fluoro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]aniline
SMILESCC(c1ccccc1F)N(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H16F3N/c1-14(19-4-2-3-5-20(19)23)24(17-10-6-15(21)7-11-17)18-12-8-16(22)9-13-18/h2-14H,1H3
InChIKeyUMBQYEWIKFHHAV-UHFFFAOYSA-N
XLogP6.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.35
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]aniline?
The IUPAC name of 4-fluoro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]aniline (CID 102369575) is 4-fluoro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]aniline?
The canonical SMILES for 4-fluoro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]aniline is CC(c1ccccc1F)N(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]aniline?
The InChIKey is UMBQYEWIKFHHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N/c1-14(19-4-2-3-5-20(19)23)24(17-10-6-15(21)7-11-17)18-12-8-16(22)9-13-18/h2-14H,1H3.
What are the key properties of 4-fluoro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]aniline?
4-fluoro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]aniline has a molecular weight of 327.35 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 102369575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).