[2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl N-methylcarbamate

C7H11F2NO3 — CID 178038045

IUPAC[2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl N-methylcarbamate
SMILESCNC(=O)OCC1(CO)CC1(F)F
InChIInChI=1S/C7H11F2NO3/c1-10-5(12)13-4-6(3-11)2-7(6,8)9/h11H,2-4H2,1H3,(H,10,12)
InChIKeyGIFWZGXGOWORTB-UHFFFAOYSA-N
MW195.16 g/mol
LogP0.36
Rot. Bonds3

About [2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl N-methylcarbamate

[2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl N-methylcarbamate (PubChem CID 178038045) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is [2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl N-methylcarbamate
PubChem CID178038045
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name[2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl N-methylcarbamate
SMILESCNC(=O)OCC1(CO)CC1(F)F
InChIInChI=1S/C7H11F2NO3/c1-10-5(12)13-4-6(3-11)2-7(6,8)9/h11H,2-4H2,1H3,(H,10,12)
InChIKeyGIFWZGXGOWORTB-UHFFFAOYSA-N
XLogP0.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl N-methylcarbamate?
The IUPAC name of [2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl N-methylcarbamate (CID 178038045) is [2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl N-methylcarbamate.
What is the SMILES notation for [2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl N-methylcarbamate?
The canonical SMILES for [2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl N-methylcarbamate is CNC(=O)OCC1(CO)CC1(F)F.
What is the InChIKey of [2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl N-methylcarbamate?
The InChIKey is GIFWZGXGOWORTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO3/c1-10-5(12)13-4-6(3-11)2-7(6,8)9/h11H,2-4H2,1H3,(H,10,12).
What are the key properties of [2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl N-methylcarbamate?
[2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl N-methylcarbamate has a molecular weight of 195.16 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl N-methylcarbamate is sourced from PubChem (CID 178038045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).