9H-fluoren-9-amine;2,2,2-trifluoroacetic acid

C15H12F3NO2 — CID 67719353

IUPAC9H-fluoren-9-amine;2,2,2-trifluoroacetic acid
SMILESNC1c2ccccc2-c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C13H11N.C2HF3O2/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;3-2(4,5)1(6)7/h1-8,13H,14H2;(H,6,7)
InChIKeyKSVZERYLXKBSFP-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.35
Rot. Bonds

About 9H-fluoren-9-amine;2,2,2-trifluoroacetic acid

9H-fluoren-9-amine;2,2,2-trifluoroacetic acid (PubChem CID 67719353) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 9H-fluoren-9-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name9H-fluoren-9-amine;2,2,2-trifluoroacetic acid
PubChem CID67719353
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name9H-fluoren-9-amine;2,2,2-trifluoroacetic acid
SMILESNC1c2ccccc2-c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C13H11N.C2HF3O2/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;3-2(4,5)1(6)7/h1-8,13H,14H2;(H,6,7)
InChIKeyKSVZERYLXKBSFP-UHFFFAOYSA-N
XLogP3.35
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 9H-fluoren-9-amine;2,2,2-trifluoroacetic acid (CID 67719353) is 9H-fluoren-9-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 9H-fluoren-9-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 9H-fluoren-9-amine;2,2,2-trifluoroacetic acid is NC1c2ccccc2-c2ccccc21.O=C(O)C(F)(F)F.
What is the InChIKey of 9H-fluoren-9-amine;2,2,2-trifluoroacetic acid?
The InChIKey is KSVZERYLXKBSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N.C2HF3O2/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;3-2(4,5)1(6)7/h1-8,13H,14H2;(H,6,7).
What are the key properties of 9H-fluoren-9-amine;2,2,2-trifluoroacetic acid?
9H-fluoren-9-amine;2,2,2-trifluoroacetic acid has a molecular weight of 295.26 g/mol, XLogP of 3.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67719353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).