1-(9H-fluoren-3-yl)-2,2,2-trifluoro-N-methylethanimine

C16H12F3N — CID 59157202

IUPAC1-(9H-fluoren-3-yl)-2,2,2-trifluoro-N-methylethanimine
SMILESC/N=C(/c1ccc2c(c1)-c1ccccc1C2)C(F)(F)F
InChIInChI=1S/C16H12F3N/c1-20-15(16(17,18)19)12-7-6-11-8-10-4-2-3-5-13(10)14(11)9-12/h2-7,9H,8H2,1H3/b20-15-
InChIKeyVBJAGUAAORBKGT-HKWRFOASSA-N
MW275.27 g/mol
LogP4.24
Rot. Bonds1

About 1-(9H-fluoren-3-yl)-2,2,2-trifluoro-N-methylethanimine

1-(9H-fluoren-3-yl)-2,2,2-trifluoro-N-methylethanimine (PubChem CID 59157202) has the molecular formula C16H12F3N and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-(9H-fluoren-3-yl)-2,2,2-trifluoro-N-methylethanimine.

Molecular Properties

Compound Name1-(9H-fluoren-3-yl)-2,2,2-trifluoro-N-methylethanimine
PubChem CID59157202
Molecular FormulaC16H12F3N
Molecular Weight275.27 g/mol
Exact Mass275.09
IUPAC Name1-(9H-fluoren-3-yl)-2,2,2-trifluoro-N-methylethanimine
SMILESC/N=C(/c1ccc2c(c1)-c1ccccc1C2)C(F)(F)F
InChIInChI=1S/C16H12F3N/c1-20-15(16(17,18)19)12-7-6-11-8-10-4-2-3-5-13(10)14(11)9-12/h2-7,9H,8H2,1H3/b20-15-
InChIKeyVBJAGUAAORBKGT-HKWRFOASSA-N
XLogP4.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-3-yl)-2,2,2-trifluoro-N-methylethanimine?
The IUPAC name of 1-(9H-fluoren-3-yl)-2,2,2-trifluoro-N-methylethanimine (CID 59157202) is 1-(9H-fluoren-3-yl)-2,2,2-trifluoro-N-methylethanimine.
What is the SMILES notation for 1-(9H-fluoren-3-yl)-2,2,2-trifluoro-N-methylethanimine?
The canonical SMILES for 1-(9H-fluoren-3-yl)-2,2,2-trifluoro-N-methylethanimine is C/N=C(/c1ccc2c(c1)-c1ccccc1C2)C(F)(F)F.
What is the InChIKey of 1-(9H-fluoren-3-yl)-2,2,2-trifluoro-N-methylethanimine?
The InChIKey is VBJAGUAAORBKGT-HKWRFOASSA-N. The full InChI is InChI=1S/C16H12F3N/c1-20-15(16(17,18)19)12-7-6-11-8-10-4-2-3-5-13(10)14(11)9-12/h2-7,9H,8H2,1H3/b20-15-.
What are the key properties of 1-(9H-fluoren-3-yl)-2,2,2-trifluoro-N-methylethanimine?
1-(9H-fluoren-3-yl)-2,2,2-trifluoro-N-methylethanimine has a molecular weight of 275.27 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-3-yl)-2,2,2-trifluoro-N-methylethanimine is sourced from PubChem (CID 59157202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).