1-(4-methoxybutan-2-yl)-3-(2,2,2-trifluoroethyl)urea

C8H15F3N2O2 — CID 115601463

IUPAC1-(4-methoxybutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCOCCC(C)NC(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-6(3-4-15-2)13-7(14)12-5-8(9,10)11/h6H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyIGOJXJXHWDPOIO-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.27
Rot. Bonds5

About 1-(4-methoxybutan-2-yl)-3-(2,2,2-trifluoroethyl)urea

1-(4-methoxybutan-2-yl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115601463) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 1-(4-methoxybutan-2-yl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(4-methoxybutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115601463
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name1-(4-methoxybutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCOCCC(C)NC(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-6(3-4-15-2)13-7(14)12-5-8(9,10)11/h6H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyIGOJXJXHWDPOIO-UHFFFAOYSA-N
XLogP1.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 64604847
1-(1-ethoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115592823
3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid
CID 64605721
1-(4-hydroxy-2-methylpentyl)-3-(4-methoxybutan-2-yl)urea
CID 111455070
1-(4-amino-4-hydroxyiminobutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 104858950
(2R)-3-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid
CID 79010445
2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115571403
2-amino-3,3,3-trifluoro-N-(4-methoxybutan-2-yl)-2-methylpropanamide
CID 79812031
N-(4-methoxybutan-2-yl)-2-methylpropanamide
CID 62613401
1-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 55809027
3-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)butanamide
CID 104581253
2-methoxy-N-(4-methoxybutan-2-yl)acetamide
CID 62612246

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutan-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(4-methoxybutan-2-yl)-3-(2,2,2-trifluoroethyl)urea (CID 115601463) is 1-(4-methoxybutan-2-yl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(4-methoxybutan-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(4-methoxybutan-2-yl)-3-(2,2,2-trifluoroethyl)urea is COCCC(C)NC(=O)NCC(F)(F)F.
What is the InChIKey of 1-(4-methoxybutan-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is IGOJXJXHWDPOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-6(3-4-15-2)13-7(14)12-5-8(9,10)11/h6H,3-5H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-(4-methoxybutan-2-yl)-3-(2,2,2-trifluoroethyl)urea?
1-(4-methoxybutan-2-yl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 228.21 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutan-2-yl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115601463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).