1-(oxolan-3-yl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea

C14H17F3N2O3 — CID 71911048

IUPAC1-(oxolan-3-yl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea
SMILESO=C(NCCOc1ccc(C(F)(F)F)cc1)NC1CCOC1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)10-1-3-12(4-2-10)22-8-6-18-13(20)19-11-5-7-21-9-11/h1-4,11H,5-9H2,(H2,18,19,20)
InChIKeyHWRBWQDMRXFJCI-UHFFFAOYSA-N
MW318.29 g/mol
LogP2.17
Rot. Bonds5

About 1-(oxolan-3-yl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea

1-(oxolan-3-yl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea (PubChem CID 71911048) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.29 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea.

Molecular Properties

Compound Name1-(oxolan-3-yl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea
PubChem CID71911048
Molecular FormulaC14H17F3N2O3
Molecular Weight318.29 g/mol
Exact Mass318.12
IUPAC Name1-(oxolan-3-yl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea
SMILESO=C(NCCOc1ccc(C(F)(F)F)cc1)NC1CCOC1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)10-1-3-12(4-2-10)22-8-6-18-13(20)19-11-5-7-21-9-11/h1-4,11H,5-9H2,(H2,18,19,20)
InChIKeyHWRBWQDMRXFJCI-UHFFFAOYSA-N
XLogP2.17
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 52.17
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

1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea
CID 115758238
1-[(3R)-2-oxopiperidin-3-yl]-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea
CID 95299326
1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea
CID 108882913
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]guanidine;hydroiodide
CID 109383239
1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea
CID 115758908
1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea
CID 110904584
1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea
CID 47467269
1-(oxolan-3-yl)-3-(3-propoxypropyl)urea
CID 116657253
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide
CID 119736792
4-morpholin-4-yl-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 47059248
1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea
CID 115759183
1,1-dioxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]thiolane-3-carboxamide
CID 55803512

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea?
The IUPAC name of 1-(oxolan-3-yl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea (CID 71911048) is 1-(oxolan-3-yl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea.
What is the SMILES notation for 1-(oxolan-3-yl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea?
The canonical SMILES for 1-(oxolan-3-yl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea is O=C(NCCOc1ccc(C(F)(F)F)cc1)NC1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea?
The InChIKey is HWRBWQDMRXFJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c15-14(16,17)10-1-3-12(4-2-10)22-8-6-18-13(20)19-11-5-7-21-9-11/h1-4,11H,5-9H2,(H2,18,19,20).
What are the key properties of 1-(oxolan-3-yl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea?
1-(oxolan-3-yl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea has a molecular weight of 318.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea is sourced from PubChem (CID 71911048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).