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

C9H17F2NO3 — CID 107483481

IUPAC2-methylpropyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
SMILESCC(C)COC(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H17F2NO3/c1-7(2)6-15-9(14)12(3-4-13)5-8(10)11/h7-8,13H,3-6H2,1-2H3
InChIKeyFWDNGWBSCNFTER-UHFFFAOYSA-N
MW225.23 g/mol
LogP1.34
Rot. Bonds6

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

2-methylpropyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate (PubChem CID 107483481) has the molecular formula C9H17F2NO3 and a molecular weight of 225.23 g/mol. Its IUPAC name is 2-methylpropyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
PubChem CID107483481
Molecular FormulaC9H17F2NO3
Molecular Weight225.23 g/mol
Exact Mass225.12
IUPAC Name2-methylpropyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
SMILESCC(C)COC(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H17F2NO3/c1-7(2)6-15-9(14)12(3-4-13)5-8(10)11/h7-8,13H,3-6H2,1-2H3
InChIKeyFWDNGWBSCNFTER-UHFFFAOYSA-N
XLogP1.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate?
The IUPAC name of 2-methylpropyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate (CID 107483481) is 2-methylpropyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate is CC(C)COC(=O)N(CCO)CC(F)F.
What is the InChIKey of 2-methylpropyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate?
The InChIKey is FWDNGWBSCNFTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO3/c1-7(2)6-15-9(14)12(3-4-13)5-8(10)11/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 2-methylpropyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate?
2-methylpropyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate has a molecular weight of 225.23 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 107483481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).