ethyl N-(2,2-difluoroethyl)-N-methylcarbamate

C6H11F2NO2 — CID 115611635

IUPACethyl N-(2,2-difluoroethyl)-N-methylcarbamate
SMILESCCOC(=O)N(C)CC(F)F
InChIInChI=1S/C6H11F2NO2/c1-3-11-6(10)9(2)4-5(7)8/h5H,3-4H2,1-2H3
InChIKeyUNONIYLPNNHKQQ-UHFFFAOYSA-N
MW167.15 g/mol
LogP1.34
Rot. Bonds3

About ethyl N-(2,2-difluoroethyl)-N-methylcarbamate

ethyl N-(2,2-difluoroethyl)-N-methylcarbamate (PubChem CID 115611635) has the molecular formula C6H11F2NO2 and a molecular weight of 167.15 g/mol. Its IUPAC name is ethyl N-(2,2-difluoroethyl)-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-(2,2-difluoroethyl)-N-methylcarbamate
PubChem CID115611635
Molecular FormulaC6H11F2NO2
Molecular Weight167.15 g/mol
Exact Mass167.08
IUPAC Nameethyl N-(2,2-difluoroethyl)-N-methylcarbamate
SMILESCCOC(=O)N(C)CC(F)F
InChIInChI=1S/C6H11F2NO2/c1-3-11-6(10)9(2)4-5(7)8/h5H,3-4H2,1-2H3
InChIKeyUNONIYLPNNHKQQ-UHFFFAOYSA-N
XLogP1.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
CID 107483466
N-(2,2-difluoroethyl)-N-methylbutanamide
CID 115611582
ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate
CID 168940776
ethyl N-(4-fluoropentyl)-N-methylcarbamate
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ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
CID 87185486
ethyl N-methyl-N-(2-oxoethyl)carbamate
CID 126971639
ethyl N-(2-chloroethyl)-N-methylcarbamate
CID 12882312
ethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
CID 60652110
ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate
CID 86250669
ethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate
CID 90725170
ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate
CID 170571033
butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate
CID 153346338

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2,2-difluoroethyl)-N-methylcarbamate?
The IUPAC name of ethyl N-(2,2-difluoroethyl)-N-methylcarbamate (CID 115611635) is ethyl N-(2,2-difluoroethyl)-N-methylcarbamate.
What is the SMILES notation for ethyl N-(2,2-difluoroethyl)-N-methylcarbamate?
The canonical SMILES for ethyl N-(2,2-difluoroethyl)-N-methylcarbamate is CCOC(=O)N(C)CC(F)F.
What is the InChIKey of ethyl N-(2,2-difluoroethyl)-N-methylcarbamate?
The InChIKey is UNONIYLPNNHKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c1-3-11-6(10)9(2)4-5(7)8/h5H,3-4H2,1-2H3.
What are the key properties of ethyl N-(2,2-difluoroethyl)-N-methylcarbamate?
ethyl N-(2,2-difluoroethyl)-N-methylcarbamate has a molecular weight of 167.15 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2,2-difluoroethyl)-N-methylcarbamate is sourced from PubChem (CID 115611635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).