1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea

C14H9F5N2O2 — CID 71568254

IUPAC1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H9F5N2O2/c15-8-5-9(16)7-11(6-8)21-13(22)20-10-1-3-12(4-2-10)23-14(17,18)19/h1-7H,(H2,20,21,22)
InChIKeyKAWOWIQMFXXSSD-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.51
Rot. Bonds3

About 1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea

1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 71568254) has the molecular formula C14H9F5N2O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID71568254
Molecular FormulaC14H9F5N2O2
Molecular Weight332.23 g/mol
Exact Mass332.06
IUPAC Name1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H9F5N2O2/c15-8-5-9(16)7-11(6-8)21-13(22)20-10-1-3-12(4-2-10)23-14(17,18)19/h1-7H,(H2,20,21,22)
InChIKeyKAWOWIQMFXXSSD-UHFFFAOYSA-N
XLogP4.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
2-chloro-5-fluoro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide
CID 13251606
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 11516527
1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 46860155
methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate
CID 115565125
1-(4-hydroxy-3-nitrophenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 69012561
1-(2-methoxypyrimidin-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122301480
N-[4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-1H-pyrrol-2-yl]acetamide
CID 141148209
(2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 51428415
2-amino-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 118582181
1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 115565023

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea (CID 71568254) is 1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is KAWOWIQMFXXSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5N2O2/c15-8-5-9(16)7-11(6-8)21-13(22)20-10-1-3-12(4-2-10)23-14(17,18)19/h1-7H,(H2,20,21,22).
What are the key properties of 1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 332.23 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 71568254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).