tert-butyl N-(2,2-difluoro-4-hydroxybutyl)-N-methylcarbamate

C10H19F2NO3 — CID 172915689

IUPACtert-butyl N-(2,2-difluoro-4-hydroxybutyl)-N-methylcarbamate
SMILESCN(CC(F)(F)CCO)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19F2NO3/c1-9(2,3)16-8(15)13(4)7-10(11,12)5-6-14/h14H,5-7H2,1-4H3
InChIKeyRNRUJMVJAINFTF-UHFFFAOYSA-N
MW239.26 g/mol
LogP1.87
Rot. Bonds4

About tert-butyl N-(2,2-difluoro-4-hydroxybutyl)-N-methylcarbamate

tert-butyl N-(2,2-difluoro-4-hydroxybutyl)-N-methylcarbamate (PubChem CID 172915689) has the molecular formula C10H19F2NO3 and a molecular weight of 239.26 g/mol. Its IUPAC name is tert-butyl N-(2,2-difluoro-4-hydroxybutyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2-difluoro-4-hydroxybutyl)-N-methylcarbamate
PubChem CID172915689
Molecular FormulaC10H19F2NO3
Molecular Weight239.26 g/mol
Exact Mass239.13
IUPAC Nametert-butyl N-(2,2-difluoro-4-hydroxybutyl)-N-methylcarbamate
SMILESCN(CC(F)(F)CCO)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19F2NO3/c1-9(2,3)16-8(15)13(4)7-10(11,12)5-6-14/h14H,5-7H2,1-4H3
InChIKeyRNRUJMVJAINFTF-UHFFFAOYSA-N
XLogP1.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-bromo-2,2-difluoroethyl)-N-methylcarbamate
CID 130561064
tert-butyl N-(3-amino-2-fluoro-2-methylpropyl)-N-methylcarbamate
CID 105475979
tert-butyl N-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]propyl]-N-methylcarbamate
CID 134513496
[3,3-difluoro-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl] 4-methylbenzenesulfonate
CID 168947786
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
magnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide
CID 166521471
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
tert-butyl N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate
CID 123482327
tert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate
CID 105473883
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
tert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate
CID 175563660

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,2-difluoro-4-hydroxybutyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2,2-difluoro-4-hydroxybutyl)-N-methylcarbamate (CID 172915689) is tert-butyl N-(2,2-difluoro-4-hydroxybutyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2,2-difluoro-4-hydroxybutyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2,2-difluoro-4-hydroxybutyl)-N-methylcarbamate is CN(CC(F)(F)CCO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2,2-difluoro-4-hydroxybutyl)-N-methylcarbamate?
The InChIKey is RNRUJMVJAINFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO3/c1-9(2,3)16-8(15)13(4)7-10(11,12)5-6-14/h14H,5-7H2,1-4H3.
What are the key properties of tert-butyl N-(2,2-difluoro-4-hydroxybutyl)-N-methylcarbamate?
tert-butyl N-(2,2-difluoro-4-hydroxybutyl)-N-methylcarbamate has a molecular weight of 239.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,2-difluoro-4-hydroxybutyl)-N-methylcarbamate is sourced from PubChem (CID 172915689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).