4-chloro-5-fluoro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine

C11H13ClF4N2 — CID 114088984

IUPAC4-chloro-5-fluoro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
SMILESCCCN(CC(F)(F)F)c1cc(Cl)c(F)cc1N
InChIInChI=1S/C11H13ClF4N2/c1-2-3-18(6-11(14,15)16)10-4-7(12)8(13)5-9(10)17/h4-5H,2-3,6,17H2,1H3
InChIKeyISVKPPGNEPCDCM-UHFFFAOYSA-N
MW284.68 g/mol
LogP3.84
Rot. Bonds4

About 4-chloro-5-fluoro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine

4-chloro-5-fluoro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine (PubChem CID 114088984) has the molecular formula C11H13ClF4N2 and a molecular weight of 284.68 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
PubChem CID114088984
Molecular FormulaC11H13ClF4N2
Molecular Weight284.68 g/mol
Exact Mass284.07
IUPAC Name4-chloro-5-fluoro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
SMILESCCCN(CC(F)(F)F)c1cc(Cl)c(F)cc1N
InChIInChI=1S/C11H13ClF4N2/c1-2-3-18(6-11(14,15)16)10-4-7(12)8(13)5-9(10)17/h4-5H,2-3,6,17H2,1H3
InChIKeyISVKPPGNEPCDCM-UHFFFAOYSA-N
XLogP3.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.68
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5-fluoro-1-N-propyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 66109551
2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 112751860
3-chloro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 55011400
2-(2-aminobutyl)-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 114861073
5-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 62492569
4-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzaldehyde
CID 114844194
2-[2-amino-4-chloro-5-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 66079554
2-(chloromethyl)-4-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 63567113
2-chloro-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 55006318
2-N-[(3-chloro-4-fluorophenyl)methyl]-2-N-propylbenzene-1,2-diamine
CID 103038315
2-chloro-5-methyl-4-N,4-N-dipropylbenzene-1,4-diamine
CID 115554375
4-(aminomethyl)-2,3-difluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 107932858

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-5-fluoro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine (CID 114088984) is 4-chloro-5-fluoro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-5-fluoro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-5-fluoro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine is CCCN(CC(F)(F)F)c1cc(Cl)c(F)cc1N.
What is the InChIKey of 4-chloro-5-fluoro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
The InChIKey is ISVKPPGNEPCDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF4N2/c1-2-3-18(6-11(14,15)16)10-4-7(12)8(13)5-9(10)17/h4-5H,2-3,6,17H2,1H3.
What are the key properties of 4-chloro-5-fluoro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
4-chloro-5-fluoro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine has a molecular weight of 284.68 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine is sourced from PubChem (CID 114088984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).