(3,3-difluorocyclopentyl)urea

C6H10F2N2O — CID 88975015

IUPAC(3,3-difluorocyclopentyl)urea
SMILESNC(=O)NC1CCC(F)(F)C1
InChIInChI=1S/C6H10F2N2O/c7-6(8)2-1-4(3-6)10-5(9)11/h4H,1-3H2,(H3,9,10,11)
InChIKeyZJYCWGKWPZDUNE-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.84
Rot. Bonds1

About (3,3-difluorocyclopentyl)urea

(3,3-difluorocyclopentyl)urea (PubChem CID 88975015) has the molecular formula C6H10F2N2O and a molecular weight of 164.16 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)urea.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)urea
PubChem CID88975015
Molecular FormulaC6H10F2N2O
Molecular Weight164.16 g/mol
Exact Mass164.08
IUPAC Name(3,3-difluorocyclopentyl)urea
SMILESNC(=O)NC1CCC(F)(F)C1
InChIInChI=1S/C6H10F2N2O/c7-6(8)2-1-4(3-6)10-5(9)11/h4H,1-3H2,(H3,9,10,11)
InChIKeyZJYCWGKWPZDUNE-UHFFFAOYSA-N
XLogP0.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)urea?
The IUPAC name of (3,3-difluorocyclopentyl)urea (CID 88975015) is (3,3-difluorocyclopentyl)urea.
What is the SMILES notation for (3,3-difluorocyclopentyl)urea?
The canonical SMILES for (3,3-difluorocyclopentyl)urea is NC(=O)NC1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclopentyl)urea?
The InChIKey is ZJYCWGKWPZDUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O/c7-6(8)2-1-4(3-6)10-5(9)11/h4H,1-3H2,(H3,9,10,11).
What are the key properties of (3,3-difluorocyclopentyl)urea?
(3,3-difluorocyclopentyl)urea has a molecular weight of 164.16 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl)urea is sourced from PubChem (CID 88975015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).