1-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,3-dimethylurea

C8H14F2N2O — CID 123338551

IUPAC1-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)CC1(C)CC1(F)F
InChIInChI=1S/C8H14F2N2O/c1-7(4-8(7,9)10)5-12(3)6(13)11-2/h4-5H2,1-3H3,(H,11,13)
InChIKeyZYUPZSRUCRCWGS-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.30
Rot. Bonds2

About 1-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,3-dimethylurea

1-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,3-dimethylurea (PubChem CID 123338551) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is 1-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,3-dimethylurea
PubChem CID123338551
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name1-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)CC1(C)CC1(F)F
InChIInChI=1S/C8H14F2N2O/c1-7(4-8(7,9)10)5-12(3)6(13)11-2/h4-5H2,1-3H3,(H,11,13)
InChIKeyZYUPZSRUCRCWGS-UHFFFAOYSA-N
XLogP1.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,3-dimethylurea?
The IUPAC name of 1-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,3-dimethylurea (CID 123338551) is 1-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,3-dimethylurea.
What is the SMILES notation for 1-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,3-dimethylurea?
The canonical SMILES for 1-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,3-dimethylurea is CNC(=O)N(C)CC1(C)CC1(F)F.
What is the InChIKey of 1-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,3-dimethylurea?
The InChIKey is ZYUPZSRUCRCWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c1-7(4-8(7,9)10)5-12(3)6(13)11-2/h4-5H2,1-3H3,(H,11,13).
What are the key properties of 1-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,3-dimethylurea?
1-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,3-dimethylurea has a molecular weight of 192.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluoro-1-methylcyclopropyl)methyl]-1,3-dimethylurea is sourced from PubChem (CID 123338551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).