N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]-2-methylpropanamide

C18H16F3NO2 — CID 59492671

IUPACN-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C18H16F3NO2/c1-10(2)16(23)22-11-7-8-15-13(9-11)12-5-3-4-6-14(12)17(15,24)18(19,20)21/h3-10,24H,1-2H3,(H,22,23)
InChIKeyYMTVUOAQBQHRTG-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.06
Rot. Bonds2

About N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]-2-methylpropanamide

N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]-2-methylpropanamide (PubChem CID 59492671) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]-2-methylpropanamide
PubChem CID59492671
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC NameN-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C18H16F3NO2/c1-10(2)16(23)22-11-7-8-15-13(9-11)12-5-3-4-6-14(12)17(15,24)18(19,20)21/h3-10,24H,1-2H3,(H,22,23)
InChIKeyYMTVUOAQBQHRTG-UHFFFAOYSA-N
XLogP4.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]-2-methylpropanamide?
The IUPAC name of N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]-2-methylpropanamide (CID 59492671) is N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc2c(c1)-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]-2-methylpropanamide?
The InChIKey is YMTVUOAQBQHRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c1-10(2)16(23)22-11-7-8-15-13(9-11)12-5-3-4-6-14(12)17(15,24)18(19,20)21/h3-10,24H,1-2H3,(H,22,23).
What are the key properties of N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]-2-methylpropanamide?
N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]-2-methylpropanamide has a molecular weight of 335.33 g/mol, XLogP of 4.06, 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]-2-methylpropanamide is sourced from PubChem (CID 59492671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).