2-[2-(3,5-difluorophenyl)ethylamino]-6-fluorobenzonitrile

C15H11F3N2 — CID 78988425

IUPAC2-[2-(3,5-difluorophenyl)ethylamino]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1NCCc1cc(F)cc(F)c1
InChIInChI=1S/C15H11F3N2/c16-11-6-10(7-12(17)8-11)4-5-20-15-3-1-2-14(18)13(15)9-19/h1-3,6-8,20H,4-5H2
InChIKeySNDYBQHDUPRFRF-UHFFFAOYSA-N
MW276.26 g/mol
LogP3.63
Rot. Bonds4

About 2-[2-(3,5-difluorophenyl)ethylamino]-6-fluorobenzonitrile

2-[2-(3,5-difluorophenyl)ethylamino]-6-fluorobenzonitrile (PubChem CID 78988425) has the molecular formula C15H11F3N2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[2-(3,5-difluorophenyl)ethylamino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[2-(3,5-difluorophenyl)ethylamino]-6-fluorobenzonitrile
PubChem CID78988425
Molecular FormulaC15H11F3N2
Molecular Weight276.26 g/mol
Exact Mass276.09
IUPAC Name2-[2-(3,5-difluorophenyl)ethylamino]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1NCCc1cc(F)cc(F)c1
InChIInChI=1S/C15H11F3N2/c16-11-6-10(7-12(17)8-11)4-5-20-15-3-1-2-14(18)13(15)9-19/h1-3,6-8,20H,4-5H2
InChIKeySNDYBQHDUPRFRF-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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluorophenyl)ethylamino]-6-fluorobenzonitrile?
The IUPAC name of 2-[2-(3,5-difluorophenyl)ethylamino]-6-fluorobenzonitrile (CID 78988425) is 2-[2-(3,5-difluorophenyl)ethylamino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[2-(3,5-difluorophenyl)ethylamino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[2-(3,5-difluorophenyl)ethylamino]-6-fluorobenzonitrile is N#Cc1c(F)cccc1NCCc1cc(F)cc(F)c1.
What is the InChIKey of 2-[2-(3,5-difluorophenyl)ethylamino]-6-fluorobenzonitrile?
The InChIKey is SNDYBQHDUPRFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2/c16-11-6-10(7-12(17)8-11)4-5-20-15-3-1-2-14(18)13(15)9-19/h1-3,6-8,20H,4-5H2.
What are the key properties of 2-[2-(3,5-difluorophenyl)ethylamino]-6-fluorobenzonitrile?
2-[2-(3,5-difluorophenyl)ethylamino]-6-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 2-[2-(3,5-difluorophenyl)ethylamino]-6-fluorobenzonitrile is sourced from PubChem (CID 78988425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).