9-hydroxy-2-methoxy-9-(trifluoromethyl)fluorene-4-carboxamide

C16H12F3NO3 — CID 59492853

IUPAC9-hydroxy-2-methoxy-9-(trifluoromethyl)fluorene-4-carboxamide
SMILESCOc1cc(C(N)=O)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C16H12F3NO3/c1-23-8-6-10(14(20)21)13-9-4-2-3-5-11(9)15(22,12(13)7-8)16(17,18)19/h2-7,22H,1H3,(H2,20,21)
InChIKeyJYCMTGJJJXPRHA-UHFFFAOYSA-N
MW323.27 g/mol
LogP2.57
Rot. Bonds2

About 9-hydroxy-2-methoxy-9-(trifluoromethyl)fluorene-4-carboxamide

9-hydroxy-2-methoxy-9-(trifluoromethyl)fluorene-4-carboxamide (PubChem CID 59492853) has the molecular formula C16H12F3NO3 and a molecular weight of 323.27 g/mol. Its IUPAC name is 9-hydroxy-2-methoxy-9-(trifluoromethyl)fluorene-4-carboxamide.

Molecular Properties

Compound Name9-hydroxy-2-methoxy-9-(trifluoromethyl)fluorene-4-carboxamide
PubChem CID59492853
Molecular FormulaC16H12F3NO3
Molecular Weight323.27 g/mol
Exact Mass323.08
IUPAC Name9-hydroxy-2-methoxy-9-(trifluoromethyl)fluorene-4-carboxamide
SMILESCOc1cc(C(N)=O)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C16H12F3NO3/c1-23-8-6-10(14(20)21)13-9-4-2-3-5-11(9)15(22,12(13)7-8)16(17,18)19/h2-7,22H,1H3,(H2,20,21)
InChIKeyJYCMTGJJJXPRHA-UHFFFAOYSA-N
XLogP2.57
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-Hydroxy-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492921
9-Hydroxy-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59493004
2-[(1S)-5-[4-carbamoyl-2-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24985211
2-Phenyl-4-(trifluoromethoxy)benzamide
CID 69076056
2-Methyl-3-phenyl-4-(trifluoromethoxy)benzamide
CID 69861752
2-(2-Phenylethyl)-4-(trifluoromethoxy)benzamide
CID 70292334
2-[Fluoro(methoxy)methyl]-4-phenylmethoxybenzamide
CID 91587332
3-(4-Hydroxyphenyl)-2-phenyl-5-(trifluoromethoxy)benzamide
CID 117665763
4-Hydroxy-2''-methoxy-5''-methyl-5'-(trifluoromethyl)-[1,1':2',1''-terphenyl]-3'-carboxamide
CID 117665829
2-(3,5-Difluorophenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethoxy)benzamide
CID 117665854
4-(Difluoromethoxy)-2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 138562375
3-Ethyl-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxyphenyl]benzamide;methoxymethane
CID 139490356

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-methoxy-9-(trifluoromethyl)fluorene-4-carboxamide?
The IUPAC name of 9-hydroxy-2-methoxy-9-(trifluoromethyl)fluorene-4-carboxamide (CID 59492853) is 9-hydroxy-2-methoxy-9-(trifluoromethyl)fluorene-4-carboxamide.
What is the SMILES notation for 9-hydroxy-2-methoxy-9-(trifluoromethyl)fluorene-4-carboxamide?
The canonical SMILES for 9-hydroxy-2-methoxy-9-(trifluoromethyl)fluorene-4-carboxamide is COc1cc(C(N)=O)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 9-hydroxy-2-methoxy-9-(trifluoromethyl)fluorene-4-carboxamide?
The InChIKey is JYCMTGJJJXPRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO3/c1-23-8-6-10(14(20)21)13-9-4-2-3-5-11(9)15(22,12(13)7-8)16(17,18)19/h2-7,22H,1H3,(H2,20,21).
What are the key properties of 9-hydroxy-2-methoxy-9-(trifluoromethyl)fluorene-4-carboxamide?
9-hydroxy-2-methoxy-9-(trifluoromethyl)fluorene-4-carboxamide has a molecular weight of 323.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-methoxy-9-(trifluoromethyl)fluorene-4-carboxamide is sourced from PubChem (CID 59492853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).