1-(4-fluorophenyl)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]urea

C11H6F10N2O — CID 71672992

IUPAC1-(4-fluorophenyl)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]urea
SMILESO=C(Nc1ccc(F)cc1)NC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6F10N2O/c12-5-1-3-6(4-2-5)22-7(24)23-8(9(13,14)15,10(16,17)18)11(19,20)21/h1-4H,(H2,22,23,24)
InChIKeyOVIKBCPSWUUVID-UHFFFAOYSA-N
MW372.16 g/mol
LogP4.37
Rot. Bonds2

About 1-(4-fluorophenyl)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]urea

1-(4-fluorophenyl)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]urea (PubChem CID 71672992) has the molecular formula C11H6F10N2O and a molecular weight of 372.16 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]urea
PubChem CID71672992
Molecular FormulaC11H6F10N2O
Molecular Weight372.16 g/mol
Exact Mass372.03
IUPAC Name1-(4-fluorophenyl)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]urea
SMILESO=C(Nc1ccc(F)cc1)NC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6F10N2O/c12-5-1-3-6(4-2-5)22-7(24)23-8(9(13,14)15,10(16,17)18)11(19,20)21/h1-4H,(H2,22,23,24)
InChIKeyOVIKBCPSWUUVID-UHFFFAOYSA-N
XLogP4.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.16
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]urea
CID 71672999
4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamoylamino]-N-hydroxybenzeneamine oxide
CID 163143607
2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide
CID 532140
1-(4-fluoroanilino)-3-(4-fluorophenyl)urea
CID 27165314
2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid
CID 43619154
ethyl (2S)-3,3,3-trifluoro-2-(4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]propanoate
CID 7129810
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea
CID 111976036
1-[4-amino-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea
CID 16777157
1-(2-bromophenyl)-3-(4-fluorophenyl)urea
CID 835097
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide
CID 103731851
1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24651175

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]urea (CID 71672992) is 1-(4-fluorophenyl)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]urea is O=C(Nc1ccc(F)cc1)NC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(4-fluorophenyl)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]urea?
The InChIKey is OVIKBCPSWUUVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F10N2O/c12-5-1-3-6(4-2-5)22-7(24)23-8(9(13,14)15,10(16,17)18)11(19,20)21/h1-4H,(H2,22,23,24).
What are the key properties of 1-(4-fluorophenyl)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]urea?
1-(4-fluorophenyl)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]urea has a molecular weight of 372.16 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]urea is sourced from PubChem (CID 71672992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).