(3,3-difluorocyclobutyl)urea

C5H8F2N2O — CID 89360103

IUPAC(3,3-difluorocyclobutyl)urea
SMILESNC(=O)NC1CC(F)(F)C1
InChIInChI=1S/C5H8F2N2O/c6-5(7)1-3(2-5)9-4(8)10/h3H,1-2H2,(H3,8,9,10)
InChIKeyRULIIIJMFVTGCE-UHFFFAOYSA-N
MW150.13 g/mol
LogP0.45
Rot. Bonds1

About (3,3-difluorocyclobutyl)urea

(3,3-difluorocyclobutyl)urea (PubChem CID 89360103) has the molecular formula C5H8F2N2O and a molecular weight of 150.13 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)urea.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)urea
PubChem CID89360103
Molecular FormulaC5H8F2N2O
Molecular Weight150.13 g/mol
Exact Mass150.06
IUPAC Name(3,3-difluorocyclobutyl)urea
SMILESNC(=O)NC1CC(F)(F)C1
InChIInChI=1S/C5H8F2N2O/c6-5(7)1-3(2-5)9-4(8)10/h3H,1-2H2,(H3,8,9,10)
InChIKeyRULIIIJMFVTGCE-UHFFFAOYSA-N
XLogP0.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclobutylurea
CID 272625
1-Propan-2-yl-3-[3-(trifluoromethyl)cyclobutyl]urea
CID 132292235
1,1,1-Trifluoropropan-2-ylurea
CID 20505664
1-Cyclobutyl-3-(trifluoromethyl)urea
CID 21511690
2,3,3-Trifluoropropylurea
CID 22005458
1-Butyl-3-(trifluoromethyl)urea
CID 53881696
1-Propan-2-yl-3-(1,1,1-trifluoropropan-2-yl)urea
CID 57846568
3,3,3-Trifluoropropylurea
CID 63227307
(2,2-Difluorocyclopropyl)urea
CID 68241530
4,4,4-Trifluorobutylurea
CID 79037549
1-(2,2-Difluoroethyl)-3-propan-2-ylurea
CID 87414397
(3,3-Difluorocyclopentyl)urea
CID 88975015

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)urea?
The IUPAC name of (3,3-difluorocyclobutyl)urea (CID 89360103) is (3,3-difluorocyclobutyl)urea.
What is the SMILES notation for (3,3-difluorocyclobutyl)urea?
The canonical SMILES for (3,3-difluorocyclobutyl)urea is NC(=O)NC1CC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)urea?
The InChIKey is RULIIIJMFVTGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2O/c6-5(7)1-3(2-5)9-4(8)10/h3H,1-2H2,(H3,8,9,10).
What are the key properties of (3,3-difluorocyclobutyl)urea?
(3,3-difluorocyclobutyl)urea has a molecular weight of 150.13 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)urea is sourced from PubChem (CID 89360103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).