1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea

C14H18F4N2O3 — CID 71975002

IUPAC1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
SMILESCCC(C)(CO)NC(=O)Nc1cc(F)ccc1OCC(F)(F)F
InChIInChI=1S/C14H18F4N2O3/c1-3-13(2,7-21)20-12(22)19-10-6-9(15)4-5-11(10)23-8-14(16,17)18/h4-6,21H,3,7-8H2,1-2H3,(H2,19,20,22)
InChIKeyVOVGARKXASZCCM-UHFFFAOYSA-N
MW338.30 g/mol
LogP3.05
Rot. Bonds6

About 1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea

1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea (PubChem CID 71975002) has the molecular formula C14H18F4N2O3 and a molecular weight of 338.30 g/mol. Its IUPAC name is 1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
PubChem CID71975002
Molecular FormulaC14H18F4N2O3
Molecular Weight338.30 g/mol
Exact Mass338.13
IUPAC Name1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
SMILESCCC(C)(CO)NC(=O)Nc1cc(F)ccc1OCC(F)(F)F
InChIInChI=1S/C14H18F4N2O3/c1-3-13(2,7-21)20-12(22)19-10-6-9(15)4-5-11(10)23-8-14(16,17)18/h4-6,21H,3,7-8H2,1-2H3,(H2,19,20,22)
InChIKeyVOVGARKXASZCCM-UHFFFAOYSA-N
XLogP3.05
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 24656358
2-(2-chloro-4-fluorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
CID 64557969
4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120559676
1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 111926481
N-(4-fluorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 24656321
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 18285483
4-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122075338
1-(2,4-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111430082
N-(2,6-dimethylphenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 18288908
3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-methyl-3-phenylpropanamide
CID 119702544
1-(4-fluoro-2-methylphenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754450
4-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122088492

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The IUPAC name of 1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea (CID 71975002) is 1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The canonical SMILES for 1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea is CCC(C)(CO)NC(=O)Nc1cc(F)ccc1OCC(F)(F)F.
What is the InChIKey of 1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The InChIKey is VOVGARKXASZCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O3/c1-3-13(2,7-21)20-12(22)19-10-6-9(15)4-5-11(10)23-8-14(16,17)18/h4-6,21H,3,7-8H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea?
1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea has a molecular weight of 338.30 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea is sourced from PubChem (CID 71975002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).