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

C18H15ClF3NO3 — CID 59493230

IUPAC4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide
SMILESNC(=O)CCCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C18H15ClF3NO3/c19-14-9-10(26-7-3-6-15(23)24)8-13-16(14)11-4-1-2-5-12(11)17(13,25)18(20,21)22/h1-2,4-5,8-9,25H,3,6-7H2,(H2,23,24)
InChIKeyGONIBLTUZNOXNK-UHFFFAOYSA-N
MW385.77 g/mol
LogP3.76
Rot. Bonds5

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

4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide (PubChem CID 59493230) has the molecular formula C18H15ClF3NO3 and a molecular weight of 385.77 g/mol. Its IUPAC name is 4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide.

Molecular Properties

Compound Name4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide
PubChem CID59493230
Molecular FormulaC18H15ClF3NO3
Molecular Weight385.77 g/mol
Exact Mass385.07
IUPAC Name4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide
SMILESNC(=O)CCCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C18H15ClF3NO3/c19-14-9-10(26-7-3-6-15(23)24)8-13-16(14)11-4-1-2-5-12(11)17(13,25)18(20,21)22/h1-2,4-5,8-9,25H,3,6-7H2,(H2,23,24)
InChIKeyGONIBLTUZNOXNK-UHFFFAOYSA-N
XLogP3.76
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.77
LogP ≤ 53.76
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

(4-Chloro-9-hydroxy-9-trifluoromethyl-9h-fluoren-2-yloxy)-acetic acid methyl ester
CID 59492703
4-[4-Chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid
CID 59492709
4-Chloro-2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492741
2-[4-Chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
CID 59492816
5-[4-Chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoic acid
CID 59492993
5-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanamide
CID 59493025
N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide
CID 59493221
4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide
CID 59492635
3-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanamide
CID 59492998
(4-Chloro-9-hydroxy-9-trifluoromethyl-9h-fluoren-2-yloxy)-acetic acid
CID 59492592
(9R)-4-Chloro-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)-9H-fluoren-9-ol
CID 117599101
Ethyl 4-[(9R)-4-chloro-9-hydroxy-9-(trifluoromethyl)-9H-fluoren-2-yloxy]butyrate
CID 117599124

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide?
The IUPAC name of 4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide (CID 59493230) is 4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide.
What is the SMILES notation for 4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide?
The canonical SMILES for 4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide is NC(=O)CCCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide?
The InChIKey is GONIBLTUZNOXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3NO3/c19-14-9-10(26-7-3-6-15(23)24)8-13-16(14)11-4-1-2-5-12(11)17(13,25)18(20,21)22/h1-2,4-5,8-9,25H,3,6-7H2,(H2,23,24).
What are the key properties of 4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide?
4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide has a molecular weight of 385.77 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanamide is sourced from PubChem (CID 59493230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).