4-[2-(2,4-difluorophenyl)ethylamino]-3-fluorobenzonitrile

C15H11F3N2 — CID 133302391

IUPAC4-[2-(2,4-difluorophenyl)ethylamino]-3-fluorobenzonitrile
SMILESN#Cc1ccc(NCCc2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C15H11F3N2/c16-12-3-2-11(13(17)8-12)5-6-20-15-4-1-10(9-19)7-14(15)18/h1-4,7-8,20H,5-6H2
InChIKeyXZIUQKBABCBWBX-UHFFFAOYSA-N
MW276.26 g/mol
LogP3.63
Rot. Bonds4

About 4-[2-(2,4-difluorophenyl)ethylamino]-3-fluorobenzonitrile

4-[2-(2,4-difluorophenyl)ethylamino]-3-fluorobenzonitrile (PubChem CID 133302391) has the molecular formula C15H11F3N2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-[2-(2,4-difluorophenyl)ethylamino]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[2-(2,4-difluorophenyl)ethylamino]-3-fluorobenzonitrile
PubChem CID133302391
Molecular FormulaC15H11F3N2
Molecular Weight276.26 g/mol
Exact Mass276.09
IUPAC Name4-[2-(2,4-difluorophenyl)ethylamino]-3-fluorobenzonitrile
SMILESN#Cc1ccc(NCCc2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C15H11F3N2/c16-12-3-2-11(13(17)8-12)5-6-20-15-4-1-10(9-19)7-14(15)18/h1-4,7-8,20H,5-6H2
InChIKeyXZIUQKBABCBWBX-UHFFFAOYSA-N
XLogP3.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile
CID 133302426
3-fluoro-4-[2-(4-methoxyphenyl)ethylamino]benzonitrile
CID 43657066
3-fluoro-4-[(4-fluoro-2-iodoanilino)methyl]benzonitrile
CID 79769186
4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile
CID 54934414
3-cyano-4-[2-(2,4-difluorophenyl)ethylamino]benzenesulfonamide
CID 71871110
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-3-fluorobenzonitrile
CID 78916070
2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine
CID 115124195
tert-butyl N-[2-(4-cyano-2-fluorophenyl)ethyl]carbamate
CID 141083538
4-(2-bromoethyl)-3-fluorobenzonitrile
CID 142784227
4-[2-(4-aminophenoxy)ethylamino]-3-fluorobenzonitrile
CID 61031110
4-[2-(3,4-difluorophenoxy)ethylamino]-3-fluorobenzonitrile
CID 133291798
3-fluoro-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile
CID 56787997

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-difluorophenyl)ethylamino]-3-fluorobenzonitrile?
The IUPAC name of 4-[2-(2,4-difluorophenyl)ethylamino]-3-fluorobenzonitrile (CID 133302391) is 4-[2-(2,4-difluorophenyl)ethylamino]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[2-(2,4-difluorophenyl)ethylamino]-3-fluorobenzonitrile?
The canonical SMILES for 4-[2-(2,4-difluorophenyl)ethylamino]-3-fluorobenzonitrile is N#Cc1ccc(NCCc2ccc(F)cc2F)c(F)c1.
What is the InChIKey of 4-[2-(2,4-difluorophenyl)ethylamino]-3-fluorobenzonitrile?
The InChIKey is XZIUQKBABCBWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2/c16-12-3-2-11(13(17)8-12)5-6-20-15-4-1-10(9-19)7-14(15)18/h1-4,7-8,20H,5-6H2.
What are the key properties of 4-[2-(2,4-difluorophenyl)ethylamino]-3-fluorobenzonitrile?
4-[2-(2,4-difluorophenyl)ethylamino]-3-fluorobenzonitrile has a molecular weight of 276.26 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-difluorophenyl)ethylamino]-3-fluorobenzonitrile is sourced from PubChem (CID 133302391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).