N'-(2,2-difluoroethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine

C11H15F3N2 — CID 107494442

IUPACN'-(2,2-difluoroethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
SMILESNCCN(Cc1ccc(F)cc1)CC(F)F
InChIInChI=1S/C11H15F3N2/c12-10-3-1-9(2-4-10)7-16(6-5-15)8-11(13)14/h1-4,11H,5-8,15H2
InChIKeyHMOYUZKOFQZZGG-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.85
Rot. Bonds6

About N'-(2,2-difluoroethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine

N'-(2,2-difluoroethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine (PubChem CID 107494442) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
PubChem CID107494442
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC NameN'-(2,2-difluoroethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
SMILESNCCN(Cc1ccc(F)cc1)CC(F)F
InChIInChI=1S/C11H15F3N2/c12-10-3-1-9(2-4-10)7-16(6-5-15)8-11(13)14/h1-4,11H,5-8,15H2
InChIKeyHMOYUZKOFQZZGG-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-2,2-difluoro-N-[(4-fluorophenyl)methyl]ethanamine
CID 107487799
N'-(2,2-diphenylethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
CID 23967295
N'-[(4-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494703
2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484838
N-(2-chloroethyl)-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine
CID 107487986
N'-benzyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23995073
N'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine
CID 23959578
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-(2,2-difluoroethyl)amino]ethanol
CID 107478882
N'-(2,2-difluoroethyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 107494419
N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 62922412
3-[(4-fluorophenyl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917283
N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine (CID 107494442) is N'-(2,2-difluoroethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine is NCCN(Cc1ccc(F)cc1)CC(F)F.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine?
The InChIKey is HMOYUZKOFQZZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c12-10-3-1-9(2-4-10)7-16(6-5-15)8-11(13)14/h1-4,11H,5-8,15H2.
What are the key properties of N'-(2,2-difluoroethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine has a molecular weight of 232.25 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 107494442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).