N'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C11H13ClF4N2 — CID 169245512

IUPACN'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(Cc1cccc(Cl)c1F)CC(F)(F)F
InChIInChI=1S/C11H13ClF4N2/c12-9-3-1-2-8(10(9)13)6-18(5-4-17)7-11(14,15)16/h1-3H,4-7,17H2
InChIKeyBXUPFJKESMTFPW-UHFFFAOYSA-N
MW284.68 g/mol
LogP2.80
Rot. Bonds5

About N'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 169245512) has the molecular formula C11H13ClF4N2 and a molecular weight of 284.68 g/mol. Its IUPAC name is N'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID169245512
Molecular FormulaC11H13ClF4N2
Molecular Weight284.68 g/mol
Exact Mass284.07
IUPAC NameN'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(Cc1cccc(Cl)c1F)CC(F)(F)F
InChIInChI=1S/C11H13ClF4N2/c12-9-3-1-2-8(10(9)13)6-18(5-4-17)7-11(14,15)16/h1-3H,4-7,17H2
InChIKeyBXUPFJKESMTFPW-UHFFFAOYSA-N
XLogP2.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.68
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 102848141
N'-[(3-chloro-2-fluorophenyl)methyl]-N'-[(1-fluorocyclopropyl)methyl]ethane-1,2-diamine
CID 169245500
N'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine
CID 62922224
2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 107347369
N'-[(4-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494703
N'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79659974
2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol
CID 103881517
2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 112553506
3-(3-chloro-2-fluorophenyl)propan-1-amine
CID 53434310
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459900
(E)-5-(3-chloro-2-fluorophenyl)pent-3-en-1-amine
CID 102864119
4-[[(3-chloro-2-fluorophenyl)methyl-ethylamino]methyl]aniline
CID 102856212

Frequently Asked Questions

What is the IUPAC name of N'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 169245512) is N'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is NCCN(Cc1cccc(Cl)c1F)CC(F)(F)F.
What is the InChIKey of N'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is BXUPFJKESMTFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF4N2/c12-9-3-1-2-8(10(9)13)6-18(5-4-17)7-11(14,15)16/h1-3H,4-7,17H2.
What are the key properties of N'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 284.68 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 169245512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).