1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea

C15H23F3N2O3 — CID 110007216

IUPAC1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea
SMILESCC(C)(C)CC(NC(=O)NCC(C)(O)c1ccco1)C(F)(F)F
InChIInChI=1S/C15H23F3N2O3/c1-13(2,3)8-10(15(16,17)18)20-12(21)19-9-14(4,22)11-6-5-7-23-11/h5-7,10,22H,8-9H2,1-4H3,(H2,19,20,21)
InChIKeyGOUKXTVFUJRDCP-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.15
Rot. Bonds5

About 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea

1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea (PubChem CID 110007216) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea
PubChem CID110007216
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea
SMILESCC(C)(C)CC(NC(=O)NCC(C)(O)c1ccco1)C(F)(F)F
InChIInChI=1S/C15H23F3N2O3/c1-13(2,3)8-10(15(16,17)18)20-12(21)19-9-14(4,22)11-6-5-7-23-11/h5-7,10,22H,8-9H2,1-4H3,(H2,19,20,21)
InChIKeyGOUKXTVFUJRDCP-UHFFFAOYSA-N
XLogP3.15
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea with MolForge

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Related Compounds

1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea
CID 111478738
1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111478745
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea
CID 111480769
1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 97051341
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea
CID 111504031
1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086010
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71782647
1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086013
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111481658

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea (CID 110007216) is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea is CC(C)(C)CC(NC(=O)NCC(C)(O)c1ccco1)C(F)(F)F.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea?
The InChIKey is GOUKXTVFUJRDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O3/c1-13(2,3)8-10(15(16,17)18)20-12(21)19-9-14(4,22)11-6-5-7-23-11/h5-7,10,22H,8-9H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea?
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea has a molecular weight of 336.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea is sourced from PubChem (CID 110007216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).