9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile

C15H8F3NO — CID 59492936

IUPAC9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile
SMILESN#Cc1cccc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C15H8F3NO/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
InChIKeyHFDOWBBCGIPRSB-UHFFFAOYSA-N
MW275.23 g/mol
LogP3.34
Rot. Bonds

About 9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile

9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile (PubChem CID 59492936) has the molecular formula C15H8F3NO and a molecular weight of 275.23 g/mol. Its IUPAC name is 9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile.

Molecular Properties

Compound Name9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile
PubChem CID59492936
Molecular FormulaC15H8F3NO
Molecular Weight275.23 g/mol
Exact Mass275.06
IUPAC Name9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile
SMILESN#Cc1cccc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C15H8F3NO/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
InChIKeyHFDOWBBCGIPRSB-UHFFFAOYSA-N
XLogP3.34
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile?
The IUPAC name of 9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile (CID 59492936) is 9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile.
What is the SMILES notation for 9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile?
The canonical SMILES for 9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile is N#Cc1cccc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of 9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile?
The InChIKey is HFDOWBBCGIPRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NO/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.
What are the key properties of 9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile?
9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile has a molecular weight of 275.23 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile is sourced from PubChem (CID 59492936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).