1-(cyclobutylmethyl)-3-(2,2,2-trifluoroethyl)urea

C8H13F3N2O — CID 115582836

IUPAC1-(cyclobutylmethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC1CCC1)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)5-13-7(14)12-4-6-2-1-3-6/h6H,1-5H2,(H2,12,13,14)
InChIKeyQNKLDNHFVGPPLN-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.65
Rot. Bonds3

About 1-(cyclobutylmethyl)-3-(2,2,2-trifluoroethyl)urea

1-(cyclobutylmethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115582836) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115582836
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name1-(cyclobutylmethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC1CCC1)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)5-13-7(14)12-4-6-2-1-3-6/h6H,1-5H2,(H2,12,13,14)
InChIKeyQNKLDNHFVGPPLN-UHFFFAOYSA-N
XLogP1.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(cyclobutylmethyl)-3-(2,2,2-trifluoroethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl)urea
CID 89181140
1-Cyclobutyl-3-(cyclobutylmethyl)-1-(3,3,3-trifluoropropyl)urea
CID 71858906
1-Propan-2-yl-3-[3-(trifluoromethyl)cyclobutyl]urea
CID 132292235
1-(Cyclopentylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115579831
[1-(Trifluoromethyl)cyclobutyl]methylurea
CID 126991633
[3-(Trifluoromethyl)cyclobutyl]urea
CID 126996373
[(3,3-Difluorocyclobutyl)methyl]urea
CID 128493717
1-[(2R)-2-methylbutyl]-3-(2,2,2-trifluoroethyl)urea
CID 137434256
1-(3,3-Difluorocyclobutyl)-1-methyl-3-(4-methylpentyl)urea
CID 153623506
1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea
CID 164556261
[3-(Trifluoromethyl)cyclobutyl]methylurea
CID 176111646
[1-(Difluoromethyl)cyclobutyl]methylurea
CID 176111656

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(cyclobutylmethyl)-3-(2,2,2-trifluoroethyl)urea (CID 115582836) is 1-(cyclobutylmethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(cyclobutylmethyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC1CCC1)NCC(F)(F)F.
What is the InChIKey of 1-(cyclobutylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is QNKLDNHFVGPPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c9-8(10,11)5-13-7(14)12-4-6-2-1-3-6/h6H,1-5H2,(H2,12,13,14).
What are the key properties of 1-(cyclobutylmethyl)-3-(2,2,2-trifluoroethyl)urea?
1-(cyclobutylmethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 210.20 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115582836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).