[3-[3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl] N,N-dimethylcarbamate

C19H20F3NO4 — CID 50924219

IUPAC[3-[3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc(OCCCOc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H20F3NO4/c1-23(2)18(24)27-17-6-3-5-16(13-17)26-12-4-11-25-15-9-7-14(8-10-15)19(20,21)22/h3,5-10,13H,4,11-12H2,1-2H3
InChIKeyUBERCENTKPAOHO-UHFFFAOYSA-N
MW383.37 g/mol
LogP4.61
Rot. Bonds7

About [3-[3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl] N,N-dimethylcarbamate

[3-[3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl] N,N-dimethylcarbamate (PubChem CID 50924219) has the molecular formula C19H20F3NO4 and a molecular weight of 383.37 g/mol. Its IUPAC name is [3-[3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-[3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl] N,N-dimethylcarbamate
PubChem CID50924219
Molecular FormulaC19H20F3NO4
Molecular Weight383.37 g/mol
Exact Mass383.13
IUPAC Name[3-[3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc(OCCCOc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H20F3NO4/c1-23(2)18(24)27-17-6-3-5-16(13-17)26-12-4-11-25-15-9-7-14(8-10-15)19(20,21)22/h3,5-10,13H,4,11-12H2,1-2H3
InChIKeyUBERCENTKPAOHO-UHFFFAOYSA-N
XLogP4.61
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
[3-(trifluoromethyl)phenyl] N,N-diethylcarbamate
CID 102099488
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
4-(3-fluorophenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 55929431
[2-[3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl] N-methylcarbamate
CID 50923786
ethane;2-methyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid
CID 142194124
1-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea
CID 150416186
1-butoxy-4-(trifluoromethyl)benzene;ethane
CID 144593328
[1-[3-(dimethylcarbamoyloxy)phenyl]-3-(4-fluorophenoxy)propyl]carbamic acid
CID 68821193
[4-(trifluoromethyl)phenyl] N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 177453696
3-[3-(trifluoromethyl)phenoxy]propanamide
CID 55207241
2,2-dimethyl-5-[4-(trifluoromethyl)phenoxy]pentanoic acid
CID 65254753

Frequently Asked Questions

What is the IUPAC name of [3-[3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [3-[3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl] N,N-dimethylcarbamate (CID 50924219) is [3-[3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-[3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-[3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1cccc(OCCCOc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of [3-[3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl] N,N-dimethylcarbamate?
The InChIKey is UBERCENTKPAOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO4/c1-23(2)18(24)27-17-6-3-5-16(13-17)26-12-4-11-25-15-9-7-14(8-10-15)19(20,21)22/h3,5-10,13H,4,11-12H2,1-2H3.
What are the key properties of [3-[3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl] N,N-dimethylcarbamate?
[3-[3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl] N,N-dimethylcarbamate has a molecular weight of 383.37 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 50924219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).