1-cyclobutyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea

C10H17F3N2O2 — CID 102846906

IUPAC1-cyclobutyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)N(CCCO)C1CCC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-14-9(17)15(5-2-6-16)8-3-1-4-8/h8,16H,1-7H2,(H,14,17)
InChIKeyFKCQQPDROJYHIJ-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.50
Rot. Bonds5

About 1-cyclobutyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea

1-cyclobutyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 102846906) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-cyclobutyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID102846906
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name1-cyclobutyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)N(CCCO)C1CCC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-14-9(17)15(5-2-6-16)8-3-1-4-8/h8,16H,1-7H2,(H,14,17)
InChIKeyFKCQQPDROJYHIJ-UHFFFAOYSA-N
XLogP1.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclobutyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 102675478
N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-carboxamide
CID 104858624
3-(2,2-Difluoro-3-hydroxypropyl)-1,1-diethylurea
CID 104858812
1-Butyl-3-(2,2-difluoro-3-hydroxypropyl)urea
CID 104859027
1-Cyclobutyl-3-(2,2-difluoro-3-hydroxypropyl)urea
CID 104860786
3-Cyclobutyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea
CID 107479084
1-(3-Hydroxypropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 110910594
1-(2-Hydroxyethyl)-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
CID 111112684
1-Cyclopropyl-1-(4-hydroxybutyl)-3-(2,2,2-trifluoroethyl)urea
CID 111430057
1-(3-Hydroxypropyl)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)urea
CID 115605726
1-Ethyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
CID 115662988
1-(3-Hydroxycyclobutyl)-3-(2,2,2-trifluoroethyl)urea
CID 116013217

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-cyclobutyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea (CID 102846906) is 1-cyclobutyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-cyclobutyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-cyclobutyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)N(CCCO)C1CCC1.
What is the InChIKey of 1-cyclobutyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is FKCQQPDROJYHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)7-14-9(17)15(5-2-6-16)8-3-1-4-8/h8,16H,1-7H2,(H,14,17).
What are the key properties of 1-cyclobutyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea?
1-cyclobutyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 254.25 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 102846906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).