1-(2,2-difluorocyclopropyl)-3-ethylurea

C6H10F2N2O — CID 146238567

IUPAC1-(2,2-difluorocyclopropyl)-3-ethylurea
SMILESCCNC(=O)NC1CC1(F)F
InChIInChI=1S/C6H10F2N2O/c1-2-9-5(11)10-4-3-6(4,7)8/h4H,2-3H2,1H3,(H2,9,10,11)
InChIKeyYWNVCHFUVRDDIP-UHFFFAOYSA-N
MW164.15 g/mol
LogP0.71
Rot. Bonds2

About 1-(2,2-difluorocyclopropyl)-3-ethylurea

1-(2,2-difluorocyclopropyl)-3-ethylurea (PubChem CID 146238567) has the molecular formula C6H10F2N2O and a molecular weight of 164.15 g/mol. Its IUPAC name is 1-(2,2-difluorocyclopropyl)-3-ethylurea.

Molecular Properties

Compound Name1-(2,2-difluorocyclopropyl)-3-ethylurea
PubChem CID146238567
Molecular FormulaC6H10F2N2O
Molecular Weight164.15 g/mol
Exact Mass164.08
IUPAC Name1-(2,2-difluorocyclopropyl)-3-ethylurea
SMILESCCNC(=O)NC1CC1(F)F
InChIInChI=1S/C6H10F2N2O/c1-2-9-5(11)10-4-3-6(4,7)8/h4H,2-3H2,1H3,(H2,9,10,11)
InChIKeyYWNVCHFUVRDDIP-UHFFFAOYSA-N
XLogP0.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorocyclopropyl)-3-ethylurea?
The IUPAC name of 1-(2,2-difluorocyclopropyl)-3-ethylurea (CID 146238567) is 1-(2,2-difluorocyclopropyl)-3-ethylurea.
What is the SMILES notation for 1-(2,2-difluorocyclopropyl)-3-ethylurea?
The canonical SMILES for 1-(2,2-difluorocyclopropyl)-3-ethylurea is CCNC(=O)NC1CC1(F)F.
What is the InChIKey of 1-(2,2-difluorocyclopropyl)-3-ethylurea?
The InChIKey is YWNVCHFUVRDDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O/c1-2-9-5(11)10-4-3-6(4,7)8/h4H,2-3H2,1H3,(H2,9,10,11).
What are the key properties of 1-(2,2-difluorocyclopropyl)-3-ethylurea?
1-(2,2-difluorocyclopropyl)-3-ethylurea has a molecular weight of 164.15 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorocyclopropyl)-3-ethylurea is sourced from PubChem (CID 146238567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).