[2-deuterio-4-(trifluoromethyl)phenyl]urea

C8H7F3N2O — CID 175995266

IUPAC[2-deuterio-4-(trifluoromethyl)phenyl]urea
SMILES[2H]c1cc(C(F)(F)F)ccc1NC(N)=O
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)5-1-3-6(4-2-5)13-7(12)14/h1-4H,(H3,12,13,14)/i3D
InChIKeyCGCOVQSKNBEYNN-WFVSFCRTSA-N
MW205.16 g/mol
LogP2.20
Rot. Bonds1

About [2-deuterio-4-(trifluoromethyl)phenyl]urea

[2-deuterio-4-(trifluoromethyl)phenyl]urea (PubChem CID 175995266) has the molecular formula C8H7F3N2O and a molecular weight of 205.16 g/mol. Its IUPAC name is [2-deuterio-4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name[2-deuterio-4-(trifluoromethyl)phenyl]urea
PubChem CID175995266
Molecular FormulaC8H7F3N2O
Molecular Weight205.16 g/mol
Exact Mass205.06
IUPAC Name[2-deuterio-4-(trifluoromethyl)phenyl]urea
SMILES[2H]c1cc(C(F)(F)F)ccc1NC(N)=O
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)5-1-3-6(4-2-5)13-7(12)14/h1-4H,(H3,12,13,14)/i3D
InChIKeyCGCOVQSKNBEYNN-WFVSFCRTSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[4-(trifluoromethyl)phenyl]phenyl]urea
CID 11623295
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 108896282
[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 60704273
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
[4-[3-(trifluoromethyl)anilino]phenyl]urea
CID 90643997
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
potassium [4-(trifluoromethyl)phenyl]carbamoylazanide
CID 143489977
N-carbamoyl-2-[4-(trifluoromethyl)anilino]acetamide
CID 26507967
1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 2813478
(2S)-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 95665678
N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide
CID 46530485
N'-[4-(trifluoromethyl)phenyl]nonanediamide
CID 91365401

Frequently Asked Questions

What is the IUPAC name of [2-deuterio-4-(trifluoromethyl)phenyl]urea?
The IUPAC name of [2-deuterio-4-(trifluoromethyl)phenyl]urea (CID 175995266) is [2-deuterio-4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for [2-deuterio-4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for [2-deuterio-4-(trifluoromethyl)phenyl]urea is [2H]c1cc(C(F)(F)F)ccc1NC(N)=O.
What is the InChIKey of [2-deuterio-4-(trifluoromethyl)phenyl]urea?
The InChIKey is CGCOVQSKNBEYNN-WFVSFCRTSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)5-1-3-6(4-2-5)13-7(12)14/h1-4H,(H3,12,13,14)/i3D.
What are the key properties of [2-deuterio-4-(trifluoromethyl)phenyl]urea?
[2-deuterio-4-(trifluoromethyl)phenyl]urea has a molecular weight of 205.16 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-deuterio-4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 175995266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).