2-methylpropyl N-(2,2-difluoro-3-hydroxypropyl)carbamate

C8H15F2NO3 — CID 106169028

IUPAC2-methylpropyl N-(2,2-difluoro-3-hydroxypropyl)carbamate
SMILESCC(C)COC(=O)NCC(F)(F)CO
InChIInChI=1S/C8H15F2NO3/c1-6(2)3-14-7(13)11-4-8(9,10)5-12/h6,12H,3-5H2,1-2H3,(H,11,13)
InChIKeyHZFIVJRYSZUMQQ-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.00
Rot. Bonds5

About 2-methylpropyl N-(2,2-difluoro-3-hydroxypropyl)carbamate

2-methylpropyl N-(2,2-difluoro-3-hydroxypropyl)carbamate (PubChem CID 106169028) has the molecular formula C8H15F2NO3 and a molecular weight of 211.21 g/mol. Its IUPAC name is 2-methylpropyl N-(2,2-difluoro-3-hydroxypropyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(2,2-difluoro-3-hydroxypropyl)carbamate
PubChem CID106169028
Molecular FormulaC8H15F2NO3
Molecular Weight211.21 g/mol
Exact Mass211.10
IUPAC Name2-methylpropyl N-(2,2-difluoro-3-hydroxypropyl)carbamate
SMILESCC(C)COC(=O)NCC(F)(F)CO
InChIInChI=1S/C8H15F2NO3/c1-6(2)3-14-7(13)11-4-8(9,10)5-12/h6,12H,3-5H2,1-2H3,(H,11,13)
InChIKeyHZFIVJRYSZUMQQ-UHFFFAOYSA-N
XLogP1.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl N-(2,2-dimethylpropyl)carbamate
CID 88893905
2-methylpropyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 115365837
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide
CID 106176696
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
2-methylpropyl N-(2-hydroxypropyl)carbamate
CID 43427881
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylpentanamide
CID 106176749
2-methylpropyl N-[2-(methylamino)ethyl]carbamate
CID 62658921
ethyl 2-amino-3-[(2,2-difluoro-3-hydroxypropyl)amino]-3-oxopropanoate
CID 106176979
N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-sulfanylbutanamide
CID 106173312
trifluoro-[2-(2-methylpropoxycarbonylamino)ethyl]boranuide
CID 142378146
2-methylpropyl N-hydroxycarbamate
CID 22467

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(2,2-difluoro-3-hydroxypropyl)carbamate?
The IUPAC name of 2-methylpropyl N-(2,2-difluoro-3-hydroxypropyl)carbamate (CID 106169028) is 2-methylpropyl N-(2,2-difluoro-3-hydroxypropyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(2,2-difluoro-3-hydroxypropyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(2,2-difluoro-3-hydroxypropyl)carbamate is CC(C)COC(=O)NCC(F)(F)CO.
What is the InChIKey of 2-methylpropyl N-(2,2-difluoro-3-hydroxypropyl)carbamate?
The InChIKey is HZFIVJRYSZUMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO3/c1-6(2)3-14-7(13)11-4-8(9,10)5-12/h6,12H,3-5H2,1-2H3,(H,11,13).
What are the key properties of 2-methylpropyl N-(2,2-difluoro-3-hydroxypropyl)carbamate?
2-methylpropyl N-(2,2-difluoro-3-hydroxypropyl)carbamate has a molecular weight of 211.21 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(2,2-difluoro-3-hydroxypropyl)carbamate is sourced from PubChem (CID 106169028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).