(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl) carbamate

C5H9F2NO3 — CID 175167673

IUPAC(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl) carbamate
SMILESCC(CO)(OC(N)=O)C(F)F
InChIInChI=1S/C5H9F2NO3/c1-5(2-9,3(6)7)11-4(8)10/h3,9H,2H2,1H3,(H2,8,10)
InChIKeyIJOHLQVEUDILMP-UHFFFAOYSA-N
MW169.13 g/mol
LogP0.10
Rot. Bonds3

About (1,1-difluoro-3-hydroxy-2-methylpropan-2-yl) carbamate

(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl) carbamate (PubChem CID 175167673) has the molecular formula C5H9F2NO3 and a molecular weight of 169.13 g/mol. Its IUPAC name is (1,1-difluoro-3-hydroxy-2-methylpropan-2-yl) carbamate.

Molecular Properties

Compound Name(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl) carbamate
PubChem CID175167673
Molecular FormulaC5H9F2NO3
Molecular Weight169.13 g/mol
Exact Mass169.06
IUPAC Name(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl) carbamate
SMILESCC(CO)(OC(N)=O)C(F)F
InChIInChI=1S/C5H9F2NO3/c1-5(2-9,3(6)7)11-4(8)10/h3,9H,2H2,1H3,(H2,8,10)
InChIKeyIJOHLQVEUDILMP-UHFFFAOYSA-N
XLogP0.10
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-3-hydroxy-2-methylpropan-2-yl) carbamate?
The IUPAC name of (1,1-difluoro-3-hydroxy-2-methylpropan-2-yl) carbamate (CID 175167673) is (1,1-difluoro-3-hydroxy-2-methylpropan-2-yl) carbamate.
What is the SMILES notation for (1,1-difluoro-3-hydroxy-2-methylpropan-2-yl) carbamate?
The canonical SMILES for (1,1-difluoro-3-hydroxy-2-methylpropan-2-yl) carbamate is CC(CO)(OC(N)=O)C(F)F.
What is the InChIKey of (1,1-difluoro-3-hydroxy-2-methylpropan-2-yl) carbamate?
The InChIKey is IJOHLQVEUDILMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO3/c1-5(2-9,3(6)7)11-4(8)10/h3,9H,2H2,1H3,(H2,8,10).
What are the key properties of (1,1-difluoro-3-hydroxy-2-methylpropan-2-yl) carbamate?
(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl) carbamate has a molecular weight of 169.13 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-3-hydroxy-2-methylpropan-2-yl) carbamate is sourced from PubChem (CID 175167673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).