9-[[4-(trifluoromethyl)phenyl]methylidene]fluorene-2,7-diamine

C21H15F3N2 — CID 162668058

IUPAC9-[[4-(trifluoromethyl)phenyl]methylidene]fluorene-2,7-diamine
SMILESNc1ccc2c(c1)C(=Cc1ccc(C(F)(F)F)cc1)c1cc(N)ccc1-2
InChIInChI=1S/C21H15F3N2/c22-21(23,24)13-3-1-12(2-4-13)9-18-19-10-14(25)5-7-16(19)17-8-6-15(26)11-20(17)18/h1-11H,25-26H2
InChIKeyNYMAFQFVJNYIKF-UHFFFAOYSA-N
MW352.36 g/mol
LogP5.44
Rot. Bonds1

About 9-[[4-(trifluoromethyl)phenyl]methylidene]fluorene-2,7-diamine

9-[[4-(trifluoromethyl)phenyl]methylidene]fluorene-2,7-diamine (PubChem CID 162668058) has the molecular formula C21H15F3N2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 9-[[4-(trifluoromethyl)phenyl]methylidene]fluorene-2,7-diamine.

Molecular Properties

Compound Name9-[[4-(trifluoromethyl)phenyl]methylidene]fluorene-2,7-diamine
PubChem CID162668058
Molecular FormulaC21H15F3N2
Molecular Weight352.36 g/mol
Exact Mass352.12
IUPAC Name9-[[4-(trifluoromethyl)phenyl]methylidene]fluorene-2,7-diamine
SMILESNc1ccc2c(c1)C(=Cc1ccc(C(F)(F)F)cc1)c1cc(N)ccc1-2
InChIInChI=1S/C21H15F3N2/c22-21(23,24)13-3-1-12(2-4-13)9-18-19-10-14(25)5-7-16(19)17-8-6-15(26)11-20(17)18/h1-11H,25-26H2
InChIKeyNYMAFQFVJNYIKF-UHFFFAOYSA-N
XLogP5.44
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.36
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_anil_A(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[[4-(trifluoromethyl)phenyl]methylidene]fluorene-2,7-diamine?
The IUPAC name of 9-[[4-(trifluoromethyl)phenyl]methylidene]fluorene-2,7-diamine (CID 162668058) is 9-[[4-(trifluoromethyl)phenyl]methylidene]fluorene-2,7-diamine.
What is the SMILES notation for 9-[[4-(trifluoromethyl)phenyl]methylidene]fluorene-2,7-diamine?
The canonical SMILES for 9-[[4-(trifluoromethyl)phenyl]methylidene]fluorene-2,7-diamine is Nc1ccc2c(c1)C(=Cc1ccc(C(F)(F)F)cc1)c1cc(N)ccc1-2.
What is the InChIKey of 9-[[4-(trifluoromethyl)phenyl]methylidene]fluorene-2,7-diamine?
The InChIKey is NYMAFQFVJNYIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2/c22-21(23,24)13-3-1-12(2-4-13)9-18-19-10-14(25)5-7-16(19)17-8-6-15(26)11-20(17)18/h1-11H,25-26H2.
What are the key properties of 9-[[4-(trifluoromethyl)phenyl]methylidene]fluorene-2,7-diamine?
9-[[4-(trifluoromethyl)phenyl]methylidene]fluorene-2,7-diamine has a molecular weight of 352.36 g/mol, XLogP of 5.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-(trifluoromethyl)phenyl]methylidene]fluorene-2,7-diamine is sourced from PubChem (CID 162668058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).