4-(aminomethyl)-9-(trifluoromethyl)fluoren-9-ol

C15H12F3NO — CID 59492472

IUPAC4-(aminomethyl)-9-(trifluoromethyl)fluoren-9-ol
SMILESNCc1cccc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C15H12F3NO/c16-15(17,18)14(20)11-6-2-1-5-10(11)13-9(8-19)4-3-7-12(13)14/h1-7,20H,8,19H2
InChIKeyXKRISICVZWITBV-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.92
Rot. Bonds1

About 4-(aminomethyl)-9-(trifluoromethyl)fluoren-9-ol

4-(aminomethyl)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492472) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 4-(aminomethyl)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name4-(aminomethyl)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492472
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name4-(aminomethyl)-9-(trifluoromethyl)fluoren-9-ol
SMILESNCc1cccc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C15H12F3NO/c16-15(17,18)14(20)11-6-2-1-5-10(11)13-9(8-19)4-3-7-12(13)14/h1-7,20H,8,19H2
InChIKeyXKRISICVZWITBV-UHFFFAOYSA-N
XLogP2.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 4-(aminomethyl)-9-(trifluoromethyl)fluoren-9-ol (CID 59492472) is 4-(aminomethyl)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 4-(aminomethyl)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 4-(aminomethyl)-9-(trifluoromethyl)fluoren-9-ol is NCc1cccc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is XKRISICVZWITBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c16-15(17,18)14(20)11-6-2-1-5-10(11)13-9(8-19)4-3-7-12(13)14/h1-7,20H,8,19H2.
What are the key properties of 4-(aminomethyl)-9-(trifluoromethyl)fluoren-9-ol?
4-(aminomethyl)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 279.26 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).