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

C12H14F6N2O — CID 107494780

IUPACN'-(2,2,2-trifluoroethyl)-N'-[[4-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
SMILESNCCN(Cc1ccc(OC(F)(F)F)cc1)CC(F)(F)F
InChIInChI=1S/C12H14F6N2O/c13-11(14,15)8-20(6-5-19)7-9-1-3-10(4-2-9)21-12(16,17)18/h1-4H,5-8,19H2
InChIKeyIHLUVEXPBVOCSF-UHFFFAOYSA-N
MW316.25 g/mol
LogP2.91
Rot. Bonds6

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

N'-(2,2,2-trifluoroethyl)-N'-[[4-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine (PubChem CID 107494780) has the molecular formula C12H14F6N2O and a molecular weight of 316.25 g/mol. Its IUPAC name is N'-(2,2,2-trifluoroethyl)-N'-[[4-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2,2-trifluoroethyl)-N'-[[4-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
PubChem CID107494780
Molecular FormulaC12H14F6N2O
Molecular Weight316.25 g/mol
Exact Mass316.10
IUPAC NameN'-(2,2,2-trifluoroethyl)-N'-[[4-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
SMILESNCCN(Cc1ccc(OC(F)(F)F)cc1)CC(F)(F)F
InChIInChI=1S/C12H14F6N2O/c13-11(14,15)8-20(6-5-19)7-9-1-3-10(4-2-9)21-12(16,17)18/h1-4H,5-8,19H2
InChIKeyIHLUVEXPBVOCSF-UHFFFAOYSA-N
XLogP2.91
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-pentan-3-yl-N'-[[4-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 63762112
N',2,2-trimethyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine
CID 79652388
3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 43445791
N-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 87520664
N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide
CID 55103943
N-(2-chloroethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine
CID 63387590
2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 70831051
1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
CID 62010342
2-[[4-(3-aminoprop-1-ynyl)phenyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484871
4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]butan-2-ol
CID 111488549
N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine
CID 114231048
2-[(3,4-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 113341314

Frequently Asked Questions

What is the IUPAC name of N'-(2,2,2-trifluoroethyl)-N'-[[4-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-(2,2,2-trifluoroethyl)-N'-[[4-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine (CID 107494780) is N'-(2,2,2-trifluoroethyl)-N'-[[4-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2,2-trifluoroethyl)-N'-[[4-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2,2,2-trifluoroethyl)-N'-[[4-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine is NCCN(Cc1ccc(OC(F)(F)F)cc1)CC(F)(F)F.
What is the InChIKey of N'-(2,2,2-trifluoroethyl)-N'-[[4-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine?
The InChIKey is IHLUVEXPBVOCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F6N2O/c13-11(14,15)8-20(6-5-19)7-9-1-3-10(4-2-9)21-12(16,17)18/h1-4H,5-8,19H2.
What are the key properties of N'-(2,2,2-trifluoroethyl)-N'-[[4-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine?
N'-(2,2,2-trifluoroethyl)-N'-[[4-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine has a molecular weight of 316.25 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2,2-trifluoroethyl)-N'-[[4-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 107494780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).