[4-(trifluoromethoxy)phenyl]urea

C8H7F3N2O2 — CID 2779224

IUPAC[4-(trifluoromethoxy)phenyl]urea
SMILESNC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)15-6-3-1-5(2-4-6)13-7(12)14/h1-4H,(H3,12,13,14)
InChIKeyLOSFVIMHTOMZKT-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.08
Rot. Bonds2

About [4-(trifluoromethoxy)phenyl]urea

[4-(trifluoromethoxy)phenyl]urea (PubChem CID 2779224) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is [4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name[4-(trifluoromethoxy)phenyl]urea
PubChem CID2779224
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name[4-(trifluoromethoxy)phenyl]urea
SMILESNC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)15-6-3-1-5(2-4-6)13-7(12)14/h1-4H,(H3,12,13,14)
InChIKeyLOSFVIMHTOMZKT-UHFFFAOYSA-N
XLogP2.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
(2E)-2-amino-2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 53274904
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
(2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2316804
2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 3924237
1-amino-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 2732842
(E)-4-oxo-4-[4-(trifluoromethoxy)anilino]but-2-enoic acid
CID 676843
1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 71568254
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863
4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119262786
5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide
CID 82848288

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of [4-(trifluoromethoxy)phenyl]urea (CID 2779224) is [4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for [4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for [4-(trifluoromethoxy)phenyl]urea is NC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethoxy)phenyl]urea?
The InChIKey is LOSFVIMHTOMZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)15-6-3-1-5(2-4-6)13-7(12)14/h1-4H,(H3,12,13,14).
What are the key properties of [4-(trifluoromethoxy)phenyl]urea?
[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 220.15 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 2779224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).