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

C11H14F4N2 — CID 107494703

IUPACN'-[(4-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(Cc1ccc(F)cc1)CC(F)(F)F
InChIInChI=1S/C11H14F4N2/c12-10-3-1-9(2-4-10)7-17(6-5-16)8-11(13,14)15/h1-4H,5-8,16H2
InChIKeyJMTZLKMWDQUYJD-UHFFFAOYSA-N
MW250.24 g/mol
LogP2.15
Rot. Bonds5

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

N'-[(4-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107494703) has the molecular formula C11H14F4N2 and a molecular weight of 250.24 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107494703
Molecular FormulaC11H14F4N2
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC NameN'-[(4-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(Cc1ccc(F)cc1)CC(F)(F)F
InChIInChI=1S/C11H14F4N2/c12-10-3-1-9(2-4-10)7-17(6-5-16)8-11(13,14)15/h1-4H,5-8,16H2
InChIKeyJMTZLKMWDQUYJD-UHFFFAOYSA-N
XLogP2.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2,2,2-trifluoroethyl)-N'-[[4-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 107494780
N'-(2,2-difluoroethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
CID 107494442
N'-(2,2-diphenylethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
CID 23967295
N'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 169245512
2-[(3,4-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 113341314
2-[(4-ethylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864838
2-[[4-(3-aminoprop-1-ynyl)phenyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484871
N'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine
CID 62924012
N'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine
CID 23959578
2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864964
N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238
N'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine
CID 62197006

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107494703) is N'-[(4-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is NCCN(Cc1ccc(F)cc1)CC(F)(F)F.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is JMTZLKMWDQUYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2/c12-10-3-1-9(2-4-10)7-17(6-5-16)8-11(13,14)15/h1-4H,5-8,16H2.
What are the key properties of N'-[(4-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-[(4-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 250.24 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).