2,5-bis(trifluoromethyl)benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diamine

C16H18F6N4 — CID 162540560

IUPAC2,5-bis(trifluoromethyl)benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diamine
SMILESCc1cc(N)c(C)cc1N.Nc1cc(C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C8H6F6N2.C8H12N2/c9-7(10,11)3-1-5(15)4(2-6(3)16)8(12,13)14;1-5-3-8(10)6(2)4-7(5)9/h1-2H,15-16H2;3-4H,9-10H2,1-2H3
InChIKeyLFMUNZXKPPDWKG-UHFFFAOYSA-N
MW380.34 g/mol
LogP4.36
Rot. Bonds

About 2,5-bis(trifluoromethyl)benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diamine

2,5-bis(trifluoromethyl)benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diamine (PubChem CID 162540560) has the molecular formula C16H18F6N4 and a molecular weight of 380.34 g/mol. Its IUPAC name is 2,5-bis(trifluoromethyl)benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2,5-bis(trifluoromethyl)benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diamine
PubChem CID162540560
Molecular FormulaC16H18F6N4
Molecular Weight380.34 g/mol
Exact Mass380.14
IUPAC Name2,5-bis(trifluoromethyl)benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diamine
SMILESCc1cc(N)c(C)cc1N.Nc1cc(C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C8H6F6N2.C8H12N2/c9-7(10,11)3-1-5(15)4(2-6(3)16)8(12,13)14;1-5-3-8(10)6(2)4-7(5)9/h1-2H,15-16H2;3-4H,9-10H2,1-2H3
InChIKeyLFMUNZXKPPDWKG-UHFFFAOYSA-N
XLogP4.36
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(trifluoromethyl)benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diamine?
The IUPAC name of 2,5-bis(trifluoromethyl)benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diamine (CID 162540560) is 2,5-bis(trifluoromethyl)benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2,5-bis(trifluoromethyl)benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2,5-bis(trifluoromethyl)benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diamine is Cc1cc(N)c(C)cc1N.Nc1cc(C(F)(F)F)c(N)cc1C(F)(F)F.
What is the InChIKey of 2,5-bis(trifluoromethyl)benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diamine?
The InChIKey is LFMUNZXKPPDWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6N2.C8H12N2/c9-7(10,11)3-1-5(15)4(2-6(3)16)8(12,13)14;1-5-3-8(10)6(2)4-7(5)9/h1-2H,15-16H2;3-4H,9-10H2,1-2H3.
What are the key properties of 2,5-bis(trifluoromethyl)benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diamine?
2,5-bis(trifluoromethyl)benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diamine has a molecular weight of 380.34 g/mol, XLogP of 4.36, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(trifluoromethyl)benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 162540560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).