1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine

C20H14F6N2O2 — CID 19351987

IUPAC1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine
SMILESFC(F)(F)Oc1cccc(Nc2ccccc2Nc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C20H14F6N2O2/c21-19(22,23)29-15-7-3-5-13(11-15)27-17-9-1-2-10-18(17)28-14-6-4-8-16(12-14)30-20(24,25)26/h1-12,27-28H
InChIKeyFXOMKGNJPGNILB-UHFFFAOYSA-N
MW428.33 g/mol
LogP6.97
Rot. Bonds6

About 1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine

1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine (PubChem CID 19351987) has the molecular formula C20H14F6N2O2 and a molecular weight of 428.33 g/mol. Its IUPAC name is 1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine
PubChem CID19351987
Molecular FormulaC20H14F6N2O2
Molecular Weight428.33 g/mol
Exact Mass428.10
IUPAC Name1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine
SMILESFC(F)(F)Oc1cccc(Nc2ccccc2Nc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C20H14F6N2O2/c21-19(22,23)29-15-7-3-5-13(11-15)27-17-9-1-2-10-18(17)28-14-6-4-8-16(12-14)30-20(24,25)26/h1-12,27-28H
InChIKeyFXOMKGNJPGNILB-UHFFFAOYSA-N
XLogP6.97
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.33
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-6-[3-(trifluoromethoxy)anilino]benzonitrile
CID 114880532
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
4-methyl-2-[3-(trifluoromethoxy)anilino]benzonitrile
CID 63510416
2-methyl-4-N-[3-(trifluoromethoxy)phenyl]benzene-1,4-diamine
CID 43436320
4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
CID 79915945
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline
CID 20786166
6-chloro-N-[3-(trifluoromethoxy)phenyl]pyridazin-3-amine
CID 43151729
2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
CID 29067513
3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 63462667
6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 80729894
6-bromo-2-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 116796336

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine?
The IUPAC name of 1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine (CID 19351987) is 1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine is FC(F)(F)Oc1cccc(Nc2ccccc2Nc2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine?
The InChIKey is FXOMKGNJPGNILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N2O2/c21-19(22,23)29-15-7-3-5-13(11-15)27-17-9-1-2-10-18(17)28-14-6-4-8-16(12-14)30-20(24,25)26/h1-12,27-28H.
What are the key properties of 1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine?
1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine has a molecular weight of 428.33 g/mol, XLogP of 6.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 19351987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).