7-(6-aminohexoxy)-8-propyl-4-(trifluoromethyl)chromen-2-one

C19H24F3NO3 — CID 89009766

IUPAC7-(6-aminohexoxy)-8-propyl-4-(trifluoromethyl)chromen-2-one
SMILESCCCc1c(OCCCCCCN)ccc2c(C(F)(F)F)cc(=O)oc12
InChIInChI=1S/C19H24F3NO3/c1-2-7-14-16(25-11-6-4-3-5-10-23)9-8-13-15(19(20,21)22)12-17(24)26-18(13)14/h8-9,12H,2-7,10-11,23H2,1H3
InChIKeyZLSZTXYMHFYJEA-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.66
Rot. Bonds9

About 7-(6-aminohexoxy)-8-propyl-4-(trifluoromethyl)chromen-2-one

7-(6-aminohexoxy)-8-propyl-4-(trifluoromethyl)chromen-2-one (PubChem CID 89009766) has the molecular formula C19H24F3NO3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 7-(6-aminohexoxy)-8-propyl-4-(trifluoromethyl)chromen-2-one.

Molecular Properties

Compound Name7-(6-aminohexoxy)-8-propyl-4-(trifluoromethyl)chromen-2-one
PubChem CID89009766
Molecular FormulaC19H24F3NO3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC Name7-(6-aminohexoxy)-8-propyl-4-(trifluoromethyl)chromen-2-one
SMILESCCCc1c(OCCCCCCN)ccc2c(C(F)(F)F)cc(=O)oc12
InChIInChI=1S/C19H24F3NO3/c1-2-7-14-16(25-11-6-4-3-5-10-23)9-8-13-15(19(20,21)22)12-17(24)26-18(13)14/h8-9,12H,2-7,10-11,23H2,1H3
InChIKeyZLSZTXYMHFYJEA-UHFFFAOYSA-N
XLogP4.66
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-(6-aminohexoxy)-8-propyl-4-(trifluoromethyl)chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[5-(3-propan-2-ylimidazolidin-1-yl)pentoxy]-8-propyl-4-(trifluoromethyl)chromen-2-one
CID 87480962
3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]triazolidin-4-one
CID 162557380
4-hydroxy-3-[2-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxyethyl]-1,3-thiazol-2-one
CID 91002320
4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]-1-(2,2,2-trifluoroethyl)imidazol-2-one
CID 90776894
1-(2,5-difluorophenyl)-4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]imidazol-2-one
CID 90932247
2-amino-N-formyl-2-(4-methylphenyl)-N-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]propanamide
CID 143856029
4-hydroxy-3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]-1-propan-2-ylimidazol-2-one
CID 91293803
7-butoxy-8-chloro-4-(trifluoromethyl)chromen-2-one
CID 159075994
4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]-1-[3-(trifluoromethyl)phenyl]imidazol-2-one
CID 91039668
5-methyl-3-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
CID 87263742
tert-butyl 4-[4-methyl-2,5-dioxo-3-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]imidazolidin-4-yl]benzoate
CID 89147675
5-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-methyl-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]imidazolidine-2,4-dione
CID 87480937

Frequently Asked Questions

What is the IUPAC name of 7-(6-aminohexoxy)-8-propyl-4-(trifluoromethyl)chromen-2-one?
The IUPAC name of 7-(6-aminohexoxy)-8-propyl-4-(trifluoromethyl)chromen-2-one (CID 89009766) is 7-(6-aminohexoxy)-8-propyl-4-(trifluoromethyl)chromen-2-one.
What is the SMILES notation for 7-(6-aminohexoxy)-8-propyl-4-(trifluoromethyl)chromen-2-one?
The canonical SMILES for 7-(6-aminohexoxy)-8-propyl-4-(trifluoromethyl)chromen-2-one is CCCc1c(OCCCCCCN)ccc2c(C(F)(F)F)cc(=O)oc12.
What is the InChIKey of 7-(6-aminohexoxy)-8-propyl-4-(trifluoromethyl)chromen-2-one?
The InChIKey is ZLSZTXYMHFYJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO3/c1-2-7-14-16(25-11-6-4-3-5-10-23)9-8-13-15(19(20,21)22)12-17(24)26-18(13)14/h8-9,12H,2-7,10-11,23H2,1H3.
What are the key properties of 7-(6-aminohexoxy)-8-propyl-4-(trifluoromethyl)chromen-2-one?
7-(6-aminohexoxy)-8-propyl-4-(trifluoromethyl)chromen-2-one has a molecular weight of 371.40 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-aminohexoxy)-8-propyl-4-(trifluoromethyl)chromen-2-one is sourced from PubChem (CID 89009766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).