methyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate

C6H11F2NO3 — CID 107479090

IUPACmethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
SMILESCOC(=O)N(CCO)CC(F)F
InChIInChI=1S/C6H11F2NO3/c1-12-6(11)9(2-3-10)4-5(7)8/h5,10H,2-4H2,1H3
InChIKeyKZENWMOMTVAAJS-UHFFFAOYSA-N
MW183.15 g/mol
LogP0.31
Rot. Bonds4

About methyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate

methyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate (PubChem CID 107479090) has the molecular formula C6H11F2NO3 and a molecular weight of 183.15 g/mol. Its IUPAC name is methyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
PubChem CID107479090
Molecular FormulaC6H11F2NO3
Molecular Weight183.15 g/mol
Exact Mass183.07
IUPAC Namemethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
SMILESCOC(=O)N(CCO)CC(F)F
InChIInChI=1S/C6H11F2NO3/c1-12-6(11)9(2-3-10)4-5(7)8/h5,10H,2-4H2,1H3
InChIKeyKZENWMOMTVAAJS-UHFFFAOYSA-N
XLogP0.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate?
The IUPAC name of methyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate (CID 107479090) is methyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for methyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for methyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate is COC(=O)N(CCO)CC(F)F.
What is the InChIKey of methyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate?
The InChIKey is KZENWMOMTVAAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO3/c1-12-6(11)9(2-3-10)4-5(7)8/h5,10H,2-4H2,1H3.
What are the key properties of methyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate?
methyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate has a molecular weight of 183.15 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 107479090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).