1-[(3-hydroxycyclobutyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea

C13H15F3N2O2 — CID 66004158

IUPAC1-[(3-hydroxycyclobutyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC1CC(O)C1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-3-1-2-4-11(10)18-12(20)17-7-8-5-9(19)6-8/h1-4,8-9,19H,5-7H2,(H2,17,18,20)
InChIKeyLIEAAQLWKSXFBV-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.60
Rot. Bonds3

About 1-[(3-hydroxycyclobutyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea

1-[(3-hydroxycyclobutyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 66004158) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-[(3-hydroxycyclobutyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(3-hydroxycyclobutyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID66004158
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name1-[(3-hydroxycyclobutyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC1CC(O)C1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-3-1-2-4-11(10)18-12(20)17-7-8-5-9(19)6-8/h1-4,8-9,19H,5-7H2,(H2,17,18,20)
InChIKeyLIEAAQLWKSXFBV-UHFFFAOYSA-N
XLogP2.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 94800617
1-[[(6R)-4-methyl-1,4-oxazepan-6-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 125179623
1-[3-(cyclopropylamino)propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 61315173
1-(2-fluorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
CID 106125111
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766
1-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 16920004
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea
CID 52591377
1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121109162
1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 40913100
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea
CID 3867881
1-(1-adamantyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108887719

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxycyclobutyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(3-hydroxycyclobutyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 66004158) is 1-[(3-hydroxycyclobutyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(3-hydroxycyclobutyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(3-hydroxycyclobutyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea is O=C(NCC1CC(O)C1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[(3-hydroxycyclobutyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is LIEAAQLWKSXFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)10-3-1-2-4-11(10)18-12(20)17-7-8-5-9(19)6-8/h1-4,8-9,19H,5-7H2,(H2,17,18,20).
What are the key properties of 1-[(3-hydroxycyclobutyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[(3-hydroxycyclobutyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 288.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclobutyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 66004158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).