1-(oxan-4-ylidenemethyl)-3-[3-(trifluoromethyl)phenyl]urea

C14H15F3N2O2 — CID 108913081

IUPAC1-(oxan-4-ylidenemethyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NC=C1CCOCC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)11-2-1-3-12(8-11)19-13(20)18-9-10-4-6-21-7-5-10/h1-3,8-9H,4-7H2,(H2,18,19,20)
InChIKeyUOPZJLUVOIKXFP-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.52
Rot. Bonds2

About 1-(oxan-4-ylidenemethyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(oxan-4-ylidenemethyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 108913081) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 1-(oxan-4-ylidenemethyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(oxan-4-ylidenemethyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID108913081
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name1-(oxan-4-ylidenemethyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NC=C1CCOCC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)11-2-1-3-12(8-11)19-13(20)18-9-10-4-6-21-7-5-10/h1-3,8-9H,4-7H2,(H2,18,19,20)
InChIKeyUOPZJLUVOIKXFP-UHFFFAOYSA-N
XLogP3.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
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CID 970620
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
1-[4-(1-morpholin-4-ylethenyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 158434163
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
(2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid
CID 78972964
1-[3-(trifluoromethyl)phenyl]-3-[(1S,2S)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]urea
CID 25360659
(2R)-2-morpholin-4-ium-4-yl-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7393141
1-(2-oxooxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134096916
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
N-(2-morpholin-4-ylethyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108944086

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylidenemethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(oxan-4-ylidenemethyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 108913081) is 1-(oxan-4-ylidenemethyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(oxan-4-ylidenemethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(oxan-4-ylidenemethyl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(NC=C1CCOCC1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(oxan-4-ylidenemethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is UOPZJLUVOIKXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)11-2-1-3-12(8-11)19-13(20)18-9-10-4-6-21-7-5-10/h1-3,8-9H,4-7H2,(H2,18,19,20).
What are the key properties of 1-(oxan-4-ylidenemethyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(oxan-4-ylidenemethyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 300.28 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylidenemethyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 108913081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).