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

C7H13F2NO3 — CID 107483466

IUPACethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
SMILESCCOC(=O)N(CCO)CC(F)F
InChIInChI=1S/C7H13F2NO3/c1-2-13-7(12)10(3-4-11)5-6(8)9/h6,11H,2-5H2,1H3
InChIKeyUZCKOUHVMPSITE-UHFFFAOYSA-N
MW197.18 g/mol
LogP0.70
Rot. Bonds5

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

ethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate (PubChem CID 107483466) has the molecular formula C7H13F2NO3 and a molecular weight of 197.18 g/mol. Its IUPAC name is ethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
PubChem CID107483466
Molecular FormulaC7H13F2NO3
Molecular Weight197.18 g/mol
Exact Mass197.09
IUPAC Nameethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
SMILESCCOC(=O)N(CCO)CC(F)F
InChIInChI=1S/C7H13F2NO3/c1-2-13-7(12)10(3-4-11)5-6(8)9/h6,11H,2-5H2,1H3
InChIKeyUZCKOUHVMPSITE-UHFFFAOYSA-N
XLogP0.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(2,2-difluoroethyl)-N-methylcarbamate
CID 115611635
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 107483272
N-(2,2-difluoroethyl)-2-(ethylamino)-N-(2-hydroxyethyl)acetamide
CID 107479472
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 107494882
(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pentanamide
CID 107571038
4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide
CID 107479371
ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
CID 11777393
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 107478961
1-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 107479411
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide
CID 107479313
(2S)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 107481778
2-methylpropyl N,N-bis(2-hydroxyethyl)carbamate
CID 61233456

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate?
The IUPAC name of ethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate (CID 107483466) is ethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for ethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for ethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate is CCOC(=O)N(CCO)CC(F)F.
What is the InChIKey of ethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate?
The InChIKey is UZCKOUHVMPSITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO3/c1-2-13-7(12)10(3-4-11)5-6(8)9/h6,11H,2-5H2,1H3.
What are the key properties of ethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate?
ethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate has a molecular weight of 197.18 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 107483466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).