N-[2-fluoro-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

C15H22F4N2 — CID 107303431

IUPACN-[2-fluoro-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNc1ccc(C(F)(F)F)cc1F)C(C)C
InChIInChI=1S/C15H22F4N2/c1-10(2)21(11(3)4)8-7-20-14-6-5-12(9-13(14)16)15(17,18)19/h5-6,9-11,20H,7-8H2,1-4H3
InChIKeyFXIYAOCGRUFQJB-UHFFFAOYSA-N
MW306.35 g/mol
LogP4.38
Rot. Bonds6

About N-[2-fluoro-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-[2-fluoro-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 107303431) has the molecular formula C15H22F4N2 and a molecular weight of 306.35 g/mol. Its IUPAC name is N-[2-fluoro-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-fluoro-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID107303431
Molecular FormulaC15H22F4N2
Molecular Weight306.35 g/mol
Exact Mass306.17
IUPAC NameN-[2-fluoro-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNc1ccc(C(F)(F)F)cc1F)C(C)C
InChIInChI=1S/C15H22F4N2/c1-10(2)21(11(3)4)8-7-20-14-6-5-12(9-13(14)16)15(17,18)19/h5-6,9-11,20H,7-8H2,1-4H3
InChIKeyFXIYAOCGRUFQJB-UHFFFAOYSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 115511431
N'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine
CID 103911705
2-fluoro-N-(2-methylsulfanylethyl)-4-(trifluoromethyl)aniline
CID 103850214
N-(4-chlorobutyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 107304185
3-[2-fluoro-4-(trifluoromethyl)anilino]-2-methylpropanoic acid
CID 107303273
3-[2-fluoro-4-(trifluoromethyl)anilino]propanoic acid
CID 107303235
2-[2-[methyl(propan-2-yl)amino]ethylamino]-5-(trifluoromethyl)benzonitrile
CID 62639916
N-(2-chloropentyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 107304160
1-[2-fluoro-4-(trifluoromethyl)anilino]pentan-2-ol
CID 113236994
5-[2-fluoro-4-(trifluoromethyl)anilino]pentanamide
CID 106238921
2-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)aniline
CID 107303497
N-[2-bromo-4-(trifluoromethyl)phenyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 115511638

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[2-fluoro-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 107303431) is N-[2-fluoro-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-fluoro-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[2-fluoro-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCNc1ccc(C(F)(F)F)cc1F)C(C)C.
What is the InChIKey of N-[2-fluoro-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is FXIYAOCGRUFQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F4N2/c1-10(2)21(11(3)4)8-7-20-14-6-5-12(9-13(14)16)15(17,18)19/h5-6,9-11,20H,7-8H2,1-4H3.
What are the key properties of N-[2-fluoro-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-[2-fluoro-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 306.35 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 107303431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).