[2-fluoro-6-(trifluoromethyl)phenyl]urea

C8H6F4N2O — CID 83403332

IUPAC[2-fluoro-6-(trifluoromethyl)phenyl]urea
SMILESNC(=O)Nc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C8H6F4N2O/c9-5-3-1-2-4(8(10,11)12)6(5)14-7(13)15/h1-3H,(H3,13,14,15)
InChIKeyUNADWBGSJMLRRB-UHFFFAOYSA-N
MW222.14 g/mol
LogP2.34
Rot. Bonds1

About [2-fluoro-6-(trifluoromethyl)phenyl]urea

[2-fluoro-6-(trifluoromethyl)phenyl]urea (PubChem CID 83403332) has the molecular formula C8H6F4N2O and a molecular weight of 222.14 g/mol. Its IUPAC name is [2-fluoro-6-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name[2-fluoro-6-(trifluoromethyl)phenyl]urea
PubChem CID83403332
Molecular FormulaC8H6F4N2O
Molecular Weight222.14 g/mol
Exact Mass222.04
IUPAC Name[2-fluoro-6-(trifluoromethyl)phenyl]urea
SMILESNC(=O)Nc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C8H6F4N2O/c9-5-3-1-2-4(8(10,11)12)6(5)14-7(13)15/h1-3H,(H3,13,14,15)
InChIKeyUNADWBGSJMLRRB-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2Z)-1-amino-2-[(2,6-difluorophenyl)hydrazinylidene]ethylidene]-2-(trifluoromethyl)benzamide
CID 135275969
(2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetamide
CID 99645736
1-amino-3-[2-chloro-6-(trifluoromethyl)phenyl]urea
CID 43164115
N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885734
N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide
CID 46530485
[2,6-bis(trifluoromethyl)phenyl]hydrazine;phosphoric acid
CID 138620046
4-(2-cyanophenyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 74229078
1-(2,6-difluorophenyl)-3-[2,5-difluoro-3-(trifluoromethyl)phenyl]urea
CID 88680967
2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 61266948
1-fluoro-2-nitroso-3-(trifluoromethyl)benzene
CID 89289121
2-hydrazinyl-3-(trifluoromethyl)phenol
CID 131057734
(2S)-2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid
CID 66512908

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-(trifluoromethyl)phenyl]urea?
The IUPAC name of [2-fluoro-6-(trifluoromethyl)phenyl]urea (CID 83403332) is [2-fluoro-6-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for [2-fluoro-6-(trifluoromethyl)phenyl]urea?
The canonical SMILES for [2-fluoro-6-(trifluoromethyl)phenyl]urea is NC(=O)Nc1c(F)cccc1C(F)(F)F.
What is the InChIKey of [2-fluoro-6-(trifluoromethyl)phenyl]urea?
The InChIKey is UNADWBGSJMLRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4N2O/c9-5-3-1-2-4(8(10,11)12)6(5)14-7(13)15/h1-3H,(H3,13,14,15).
What are the key properties of [2-fluoro-6-(trifluoromethyl)phenyl]urea?
[2-fluoro-6-(trifluoromethyl)phenyl]urea has a molecular weight of 222.14 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 83403332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).