4-[5-[4-amino-2-(trifluoromethyl)phenyl]furan-2-yl]-3-(trifluoromethyl)aniline

C18H12F6N2O — CID 10548176

IUPAC4-[5-[4-amino-2-(trifluoromethyl)phenyl]furan-2-yl]-3-(trifluoromethyl)aniline
SMILESNc1ccc(-c2ccc(-c3ccc(N)cc3C(F)(F)F)o2)c(C(F)(F)F)c1
InChIInChI=1S/C18H12F6N2O/c19-17(20,21)13-7-9(25)1-3-11(13)15-5-6-16(27-15)12-4-2-10(26)8-14(12)18(22,23)24/h1-8H,25-26H2
InChIKeyYJLOMWPGACWMQP-UHFFFAOYSA-N
MW386.30 g/mol
LogP5.82
Rot. Bonds2

About 4-[5-[4-amino-2-(trifluoromethyl)phenyl]furan-2-yl]-3-(trifluoromethyl)aniline

4-[5-[4-amino-2-(trifluoromethyl)phenyl]furan-2-yl]-3-(trifluoromethyl)aniline (PubChem CID 10548176) has the molecular formula C18H12F6N2O and a molecular weight of 386.30 g/mol. Its IUPAC name is 4-[5-[4-amino-2-(trifluoromethyl)phenyl]furan-2-yl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[5-[4-amino-2-(trifluoromethyl)phenyl]furan-2-yl]-3-(trifluoromethyl)aniline
PubChem CID10548176
Molecular FormulaC18H12F6N2O
Molecular Weight386.30 g/mol
Exact Mass386.09
IUPAC Name4-[5-[4-amino-2-(trifluoromethyl)phenyl]furan-2-yl]-3-(trifluoromethyl)aniline
SMILESNc1ccc(-c2ccc(-c3ccc(N)cc3C(F)(F)F)o2)c(C(F)(F)F)c1
InChIInChI=1S/C18H12F6N2O/c19-17(20,21)13-7-9(25)1-3-11(13)15-5-6-16(27-15)12-4-2-10(26)8-14(12)18(22,23)24/h1-8H,25-26H2
InChIKeyYJLOMWPGACWMQP-UHFFFAOYSA-N
XLogP5.82
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.30
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-amino-2-(trifluoromethyl)phenyl]furan-2-yl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[5-[4-amino-2-(trifluoromethyl)phenyl]furan-2-yl]-3-(trifluoromethyl)aniline (CID 10548176) is 4-[5-[4-amino-2-(trifluoromethyl)phenyl]furan-2-yl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[5-[4-amino-2-(trifluoromethyl)phenyl]furan-2-yl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[5-[4-amino-2-(trifluoromethyl)phenyl]furan-2-yl]-3-(trifluoromethyl)aniline is Nc1ccc(-c2ccc(-c3ccc(N)cc3C(F)(F)F)o2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[5-[4-amino-2-(trifluoromethyl)phenyl]furan-2-yl]-3-(trifluoromethyl)aniline?
The InChIKey is YJLOMWPGACWMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N2O/c19-17(20,21)13-7-9(25)1-3-11(13)15-5-6-16(27-15)12-4-2-10(26)8-14(12)18(22,23)24/h1-8H,25-26H2.
What are the key properties of 4-[5-[4-amino-2-(trifluoromethyl)phenyl]furan-2-yl]-3-(trifluoromethyl)aniline?
4-[5-[4-amino-2-(trifluoromethyl)phenyl]furan-2-yl]-3-(trifluoromethyl)aniline has a molecular weight of 386.30 g/mol, XLogP of 5.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-amino-2-(trifluoromethyl)phenyl]furan-2-yl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 10548176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).