1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea

C10H13F3N2O3 — CID 111474174

IUPAC1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCC(O)(CNC(=O)NCC(F)(F)F)c1ccco1
InChIInChI=1S/C10H13F3N2O3/c1-9(17,7-3-2-4-18-7)5-14-8(16)15-6-10(11,12)13/h2-4,17H,5-6H2,1H3,(H2,14,15,16)
InChIKeyKLBDRXWEBJFBMS-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.35
Rot. Bonds4

About 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea

1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 111474174) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID111474174
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCC(O)(CNC(=O)NCC(F)(F)F)c1ccco1
InChIInChI=1S/C10H13F3N2O3/c1-9(17,7-3-2-4-18-7)5-14-8(16)15-6-10(11,12)13/h2-4,17H,5-6H2,1H3,(H2,14,15,16)
InChIKeyKLBDRXWEBJFBMS-UHFFFAOYSA-N
XLogP1.35
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086013
1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086010
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
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-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 95983775
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea
CID 110007216
N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
CID 95983781
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
3-(furan-2-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
CID 111481891
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide
CID 111482352

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea (CID 111474174) is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea is CC(O)(CNC(=O)NCC(F)(F)F)c1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is KLBDRXWEBJFBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c1-9(17,7-3-2-4-18-7)5-14-8(16)15-6-10(11,12)13/h2-4,17H,5-6H2,1H3,(H2,14,15,16).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea?
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 266.22 g/mol, XLogP of 1.35, 4 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-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 111474174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).