4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide

C18H16F3NO3 — CID 59492635

IUPAC4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide
SMILESNC(=O)CCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C18H16F3NO3/c19-18(20,21)17(24)14-5-2-1-4-12(14)13-8-7-11(10-15(13)17)25-9-3-6-16(22)23/h1-2,4-5,7-8,10,24H,3,6,9H2,(H2,22,23)
InChIKeyBWXARXVQYNVDMB-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.11
Rot. Bonds5

About 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide

4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide (PubChem CID 59492635) has the molecular formula C18H16F3NO3 and a molecular weight of 351.32 g/mol. Its IUPAC name is 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide.

Molecular Properties

Compound Name4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide
PubChem CID59492635
Molecular FormulaC18H16F3NO3
Molecular Weight351.32 g/mol
Exact Mass351.11
IUPAC Name4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide
SMILESNC(=O)CCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C18H16F3NO3/c19-18(20,21)17(24)14-5-2-1-4-12(14)13-8-7-11(10-15(13)17)25-9-3-6-16(22)23/h1-2,4-5,7-8,10,24H,3,6,9H2,(H2,22,23)
InChIKeyBWXARXVQYNVDMB-UHFFFAOYSA-N
XLogP3.11
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-Hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492658
4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid
CID 59492679
Ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate
CID 59492500
2-[3-(Dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol
CID 59492528
2-Hexoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492533
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide
CID 59492562
2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
CID 59492583
5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide
CID 59492588
N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide
CID 59492614
5-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoic acid
CID 59492626
2-Butoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492669
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylacetamide
CID 59492675

Frequently Asked Questions

What is the IUPAC name of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide?
The IUPAC name of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide (CID 59492635) is 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide.
What is the SMILES notation for 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide?
The canonical SMILES for 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide is NC(=O)CCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide?
The InChIKey is BWXARXVQYNVDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO3/c19-18(20,21)17(24)14-5-2-1-4-12(14)13-8-7-11(10-15(13)17)25-9-3-6-16(22)23/h1-2,4-5,7-8,10,24H,3,6,9H2,(H2,22,23).
What are the key properties of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide?
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide has a molecular weight of 351.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide is sourced from PubChem (CID 59492635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).