methyl N-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]carbamate

C16H12F3NO3 — CID 59492907

IUPACmethyl N-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]carbamate
SMILESCOC(=O)Nc1cccc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C16H12F3NO3/c1-23-14(21)20-12-8-4-7-11-13(12)9-5-2-3-6-10(9)15(11,22)16(17,18)19/h2-8,22H,1H3,(H,20,21)
InChIKeyOFGOJNHTCASUBY-UHFFFAOYSA-N
MW323.27 g/mol
LogP3.64
Rot. Bonds1

About methyl N-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]carbamate

methyl N-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]carbamate (PubChem CID 59492907) has the molecular formula C16H12F3NO3 and a molecular weight of 323.27 g/mol. Its IUPAC name is methyl N-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]carbamate
PubChem CID59492907
Molecular FormulaC16H12F3NO3
Molecular Weight323.27 g/mol
Exact Mass323.08
IUPAC Namemethyl N-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]carbamate
SMILESCOC(=O)Nc1cccc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C16H12F3NO3/c1-23-14(21)20-12-8-4-7-11-13(12)9-5-2-3-6-10(9)15(11,22)16(17,18)19/h2-8,22H,1H3,(H,20,21)
InChIKeyOFGOJNHTCASUBY-UHFFFAOYSA-N
XLogP3.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]carbamate?
The IUPAC name of methyl N-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]carbamate (CID 59492907) is methyl N-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]carbamate.
What is the SMILES notation for methyl N-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]carbamate?
The canonical SMILES for methyl N-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]carbamate is COC(=O)Nc1cccc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of methyl N-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]carbamate?
The InChIKey is OFGOJNHTCASUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO3/c1-23-14(21)20-12-8-4-7-11-13(12)9-5-2-3-6-10(9)15(11,22)16(17,18)19/h2-8,22H,1H3,(H,20,21).
What are the key properties of methyl N-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]carbamate?
methyl N-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]carbamate has a molecular weight of 323.27 g/mol, XLogP of 3.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]carbamate is sourced from PubChem (CID 59492907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).