methyl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate

C7H11F2NO2 — CID 139304621

IUPACmethyl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate
SMILESCOC(=O)NC1(CC(F)F)CC1
InChIInChI=1S/C7H11F2NO2/c1-12-6(11)10-7(2-3-7)4-5(8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKeyOZDOQQXUNFYLRR-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.53
Rot. Bonds3

About methyl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate

methyl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate (PubChem CID 139304621) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is methyl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate
PubChem CID139304621
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Namemethyl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate
SMILESCOC(=O)NC1(CC(F)F)CC1
InChIInChI=1S/C7H11F2NO2/c1-12-6(11)10-7(2-3-7)4-5(8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKeyOZDOQQXUNFYLRR-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate?
The IUPAC name of methyl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate (CID 139304621) is methyl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate.
What is the SMILES notation for methyl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate?
The canonical SMILES for methyl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate is COC(=O)NC1(CC(F)F)CC1.
What is the InChIKey of methyl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate?
The InChIKey is OZDOQQXUNFYLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-12-6(11)10-7(2-3-7)4-5(8)9/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of methyl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate?
methyl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate has a molecular weight of 179.17 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2,2-difluoroethyl)cyclopropyl]carbamate is sourced from PubChem (CID 139304621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).