[1-(2,2-difluoroethyl)imidazol-2-yl]-methylcarbamic acid

C7H9F2N3O2 — CID 121351099

IUPAC[1-(2,2-difluoroethyl)imidazol-2-yl]-methylcarbamic acid
SMILESCN(C(=O)O)c1nccn1CC(F)F
InChIInChI=1S/C7H9F2N3O2/c1-11(7(13)14)6-10-2-3-12(6)4-5(8)9/h2-3,5H,4H2,1H3,(H,13,14)
InChIKeyMXPKSKZQMTVOIS-UHFFFAOYSA-N
MW205.16 g/mol
LogP1.26
Rot. Bonds3

About [1-(2,2-difluoroethyl)imidazol-2-yl]-methylcarbamic acid

[1-(2,2-difluoroethyl)imidazol-2-yl]-methylcarbamic acid (PubChem CID 121351099) has the molecular formula C7H9F2N3O2 and a molecular weight of 205.16 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)imidazol-2-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)imidazol-2-yl]-methylcarbamic acid
PubChem CID121351099
Molecular FormulaC7H9F2N3O2
Molecular Weight205.16 g/mol
Exact Mass205.07
IUPAC Name[1-(2,2-difluoroethyl)imidazol-2-yl]-methylcarbamic acid
SMILESCN(C(=O)O)c1nccn1CC(F)F
InChIInChI=1S/C7H9F2N3O2/c1-11(7(13)14)6-10-2-3-12(6)4-5(8)9/h2-3,5H,4H2,1H3,(H,13,14)
InChIKeyMXPKSKZQMTVOIS-UHFFFAOYSA-N
XLogP1.26
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)imidazol-2-yl]-methylcarbamic acid?
The IUPAC name of [1-(2,2-difluoroethyl)imidazol-2-yl]-methylcarbamic acid (CID 121351099) is [1-(2,2-difluoroethyl)imidazol-2-yl]-methylcarbamic acid.
What is the SMILES notation for [1-(2,2-difluoroethyl)imidazol-2-yl]-methylcarbamic acid?
The canonical SMILES for [1-(2,2-difluoroethyl)imidazol-2-yl]-methylcarbamic acid is CN(C(=O)O)c1nccn1CC(F)F.
What is the InChIKey of [1-(2,2-difluoroethyl)imidazol-2-yl]-methylcarbamic acid?
The InChIKey is MXPKSKZQMTVOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2/c1-11(7(13)14)6-10-2-3-12(6)4-5(8)9/h2-3,5H,4H2,1H3,(H,13,14).
What are the key properties of [1-(2,2-difluoroethyl)imidazol-2-yl]-methylcarbamic acid?
[1-(2,2-difluoroethyl)imidazol-2-yl]-methylcarbamic acid has a molecular weight of 205.16 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)imidazol-2-yl]-methylcarbamic acid is sourced from PubChem (CID 121351099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).