9H-fluorene-2,7-diamine;4-phenoxy-3-(trifluoromethyl)aniline

C26H22F3N3O — CID 175585193

IUPAC9H-fluorene-2,7-diamine;4-phenoxy-3-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2ccccc2)c(C(F)(F)F)c1.Nc1ccc2c(c1)Cc1cc(N)ccc1-2
InChIInChI=1S/C13H10F3NO.C13H12N2/c14-13(15,16)11-8-9(17)6-7-12(11)18-10-4-2-1-3-5-10;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-8H,17H2;1-4,6-7H,5,14-15H2
InChIKeyAPYQLFYFCAATHD-UHFFFAOYSA-N
MW449.48 g/mol
LogP6.50
Rot. Bonds2

About 9H-fluorene-2,7-diamine;4-phenoxy-3-(trifluoromethyl)aniline

9H-fluorene-2,7-diamine;4-phenoxy-3-(trifluoromethyl)aniline (PubChem CID 175585193) has the molecular formula C26H22F3N3O and a molecular weight of 449.48 g/mol. Its IUPAC name is 9H-fluorene-2,7-diamine;4-phenoxy-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name9H-fluorene-2,7-diamine;4-phenoxy-3-(trifluoromethyl)aniline
PubChem CID175585193
Molecular FormulaC26H22F3N3O
Molecular Weight449.48 g/mol
Exact Mass449.17
IUPAC Name9H-fluorene-2,7-diamine;4-phenoxy-3-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2ccccc2)c(C(F)(F)F)c1.Nc1ccc2c(c1)Cc1cc(N)ccc1-2
InChIInChI=1S/C13H10F3NO.C13H12N2/c14-13(15,16)11-8-9(17)6-7-12(11)18-10-4-2-1-3-5-10;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-8H,17H2;1-4,6-7H,5,14-15H2
InChIKeyAPYQLFYFCAATHD-UHFFFAOYSA-N
XLogP6.50
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.48
LogP ≤ 56.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline
CID 19805070
4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline;hydrochloride
CID 22906581
4-[10-[4-amino-2-(trifluoromethyl)phenoxy]anthracen-9-yl]-3-(trifluoromethyl)aniline
CID 176916153
9H-fluoren-2-amine;hydrobromide
CID 141482724
9H-fluorene-2,7-diamine
CID 10679
4-[2-[2-[4-amino-2-(trifluoromethyl)phenoxy]-N-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]anilino]phenoxy]-3-(trifluoromethyl)aniline
CID 90293468
4-[2-[2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline
CID 18793542
4-(2-iodophenoxy)-3-(trifluoromethyl)aniline
CID 55191480
4-(4-cyclohexylphenoxy)-3-(trifluoromethyl)aniline
CID 671283
ethane;9H-fluoren-2-amine
CID 142950354
4-[4-bromo-2-(trifluoromethyl)phenoxy]aniline
CID 65483620
9H-fluorene-2,7-diamine;tetrahydrochloride
CID 140751459

Frequently Asked Questions

What is the IUPAC name of 9H-fluorene-2,7-diamine;4-phenoxy-3-(trifluoromethyl)aniline?
The IUPAC name of 9H-fluorene-2,7-diamine;4-phenoxy-3-(trifluoromethyl)aniline (CID 175585193) is 9H-fluorene-2,7-diamine;4-phenoxy-3-(trifluoromethyl)aniline.
What is the SMILES notation for 9H-fluorene-2,7-diamine;4-phenoxy-3-(trifluoromethyl)aniline?
The canonical SMILES for 9H-fluorene-2,7-diamine;4-phenoxy-3-(trifluoromethyl)aniline is Nc1ccc(Oc2ccccc2)c(C(F)(F)F)c1.Nc1ccc2c(c1)Cc1cc(N)ccc1-2.
What is the InChIKey of 9H-fluorene-2,7-diamine;4-phenoxy-3-(trifluoromethyl)aniline?
The InChIKey is APYQLFYFCAATHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO.C13H12N2/c14-13(15,16)11-8-9(17)6-7-12(11)18-10-4-2-1-3-5-10;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-8H,17H2;1-4,6-7H,5,14-15H2.
What are the key properties of 9H-fluorene-2,7-diamine;4-phenoxy-3-(trifluoromethyl)aniline?
9H-fluorene-2,7-diamine;4-phenoxy-3-(trifluoromethyl)aniline has a molecular weight of 449.48 g/mol, XLogP of 6.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene-2,7-diamine;4-phenoxy-3-(trifluoromethyl)aniline is sourced from PubChem (CID 175585193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).