[1-(trifluoromethyl)cyclobutyl]methylurea

C7H11F3N2O — CID 126991633

IUPAC[1-(trifluoromethyl)cyclobutyl]methylurea
SMILESNC(=O)NCC1(C(F)(F)F)CCC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)6(2-1-3-6)4-12-5(11)13/h1-4H2,(H3,11,12,13)
InChIKeyHFBOTZBNSXBXNJ-UHFFFAOYSA-N
MW196.17 g/mol
LogP1.39
Rot. Bonds2

About [1-(trifluoromethyl)cyclobutyl]methylurea

[1-(trifluoromethyl)cyclobutyl]methylurea (PubChem CID 126991633) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is [1-(trifluoromethyl)cyclobutyl]methylurea.

Molecular Properties

Compound Name[1-(trifluoromethyl)cyclobutyl]methylurea
PubChem CID126991633
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name[1-(trifluoromethyl)cyclobutyl]methylurea
SMILESNC(=O)NCC1(C(F)(F)F)CCC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)6(2-1-3-6)4-12-5(11)13/h1-4H2,(H3,11,12,13)
InChIKeyHFBOTZBNSXBXNJ-UHFFFAOYSA-N
XLogP1.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethyl)cyclobutyl]methylurea?
The IUPAC name of [1-(trifluoromethyl)cyclobutyl]methylurea (CID 126991633) is [1-(trifluoromethyl)cyclobutyl]methylurea.
What is the SMILES notation for [1-(trifluoromethyl)cyclobutyl]methylurea?
The canonical SMILES for [1-(trifluoromethyl)cyclobutyl]methylurea is NC(=O)NCC1(C(F)(F)F)CCC1.
What is the InChIKey of [1-(trifluoromethyl)cyclobutyl]methylurea?
The InChIKey is HFBOTZBNSXBXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c8-7(9,10)6(2-1-3-6)4-12-5(11)13/h1-4H2,(H3,11,12,13).
What are the key properties of [1-(trifluoromethyl)cyclobutyl]methylurea?
[1-(trifluoromethyl)cyclobutyl]methylurea has a molecular weight of 196.17 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethyl)cyclobutyl]methylurea is sourced from PubChem (CID 126991633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).