1-(3-ethyl-2-hydroxypentyl)-3-(2,2,2-trifluoroethyl)urea

C10H19F3N2O2 — CID 103657852

IUPAC1-(3-ethyl-2-hydroxypentyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCCC(CC)C(O)CNC(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-7(4-2)8(16)5-14-9(17)15-6-10(11,12)13/h7-8,16H,3-6H2,1-2H3,(H2,14,15,17)
InChIKeyQFWPZGJXQQQODD-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.64
Rot. Bonds6

About 1-(3-ethyl-2-hydroxypentyl)-3-(2,2,2-trifluoroethyl)urea

1-(3-ethyl-2-hydroxypentyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 103657852) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-(3-ethyl-2-hydroxypentyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(3-ethyl-2-hydroxypentyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID103657852
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name1-(3-ethyl-2-hydroxypentyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCCC(CC)C(O)CNC(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-7(4-2)8(16)5-14-9(17)15-6-10(11,12)13/h7-8,16H,3-6H2,1-2H3,(H2,14,15,17)
InChIKeyQFWPZGJXQQQODD-UHFFFAOYSA-N
XLogP1.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-Hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(2,2,2-trifluoroethyl)urea
CID 53616052
1-(Cyclopropylmethyl)-3-(3-ethyl-2-hydroxypentyl)urea
CID 56787603
1-cyclobutyl-3-[(2R)-3-ethyl-2-hydroxypentyl]urea
CID 95622179
(5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
CID 126716147
3-(difluoromethyl)-5-hydroxy-N-propylpiperidine-1-carboxamide
CID 126716201
N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
CID 130283303
1-(2,2-Difluoroethyl)-3-(4-hydroxypentyl)urea
CID 137387215
(3R,4R,5S)-3-(difluoromethyl)-5-hydroxy-4-methyl-N-propylpiperidine-1-carboxamide
CID 139513575
1-(1-Cyclopentyl-2,2,2-trifluoroethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-YL]urea
CID 86800127
1-[(2S)-1-hydroxybutan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 86817460
1-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(2,2,2-trifluoroethyl)urea
CID 95187325
1-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(2,2,2-trifluoroethyl)urea
CID 95187326

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-hydroxypentyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(3-ethyl-2-hydroxypentyl)-3-(2,2,2-trifluoroethyl)urea (CID 103657852) is 1-(3-ethyl-2-hydroxypentyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(3-ethyl-2-hydroxypentyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(3-ethyl-2-hydroxypentyl)-3-(2,2,2-trifluoroethyl)urea is CCC(CC)C(O)CNC(=O)NCC(F)(F)F.
What is the InChIKey of 1-(3-ethyl-2-hydroxypentyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is QFWPZGJXQQQODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-3-7(4-2)8(16)5-14-9(17)15-6-10(11,12)13/h7-8,16H,3-6H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-(3-ethyl-2-hydroxypentyl)-3-(2,2,2-trifluoroethyl)urea?
1-(3-ethyl-2-hydroxypentyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 256.27 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-hydroxypentyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 103657852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).