N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]propanamide

C17H14F3NO2 — CID 59492763

IUPACN-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C17H14F3NO2/c1-2-15(22)21-10-7-8-14-12(9-10)11-5-3-4-6-13(11)16(14,23)17(18,19)20/h3-9,23H,2H2,1H3,(H,21,22)
InChIKeyNDAGNPUDNOIGAE-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.81
Rot. Bonds2

About N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]propanamide

N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]propanamide (PubChem CID 59492763) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]propanamide.

Molecular Properties

Compound NameN-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]propanamide
PubChem CID59492763
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC NameN-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C17H14F3NO2/c1-2-15(22)21-10-7-8-14-12(9-10)11-5-3-4-6-13(11)16(14,23)17(18,19)20/h3-9,23H,2H2,1H3,(H,21,22)
InChIKeyNDAGNPUDNOIGAE-UHFFFAOYSA-N
XLogP3.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9-Hydroxy-9H-fluoren-2-yl)acetamide
CID 42237
N-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl)acetamide
CID 2323445
1-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]pyrrolidin-2-one
CID 59492795
1-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 59492640
N-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]acetamide
CID 59492683
1-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]ethanone
CID 59492766
1-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]propan-1-one
CID 59493091
1-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 59493106
N-(8a-hydroxy-8,9-dihydrofluoren-2-yl)acetamide
CID 154700124
3-phenyl-N-[4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)phenyl]propionamide
CID 11718085
1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylpiperidine-4-carboxamide
CID 59492480
2-(Methylamino)-9-(trifluoromethyl)fluoren-9-ol
CID 59492514

Frequently Asked Questions

What is the IUPAC name of N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]propanamide?
The IUPAC name of N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]propanamide (CID 59492763) is N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]propanamide.
What is the SMILES notation for N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]propanamide?
The canonical SMILES for N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]propanamide is CCC(=O)Nc1ccc2c(c1)-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]propanamide?
The InChIKey is NDAGNPUDNOIGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2/c1-2-15(22)21-10-7-8-14-12(9-10)11-5-3-4-6-13(11)16(14,23)17(18,19)20/h3-9,23H,2H2,1H3,(H,21,22).
What are the key properties of N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]propanamide?
N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]propanamide has a molecular weight of 321.30 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]propanamide is sourced from PubChem (CID 59492763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).