N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2-difluoroacetamide

C6H11F2NO3 — CID 4608392

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2-difluoroacetamide
SMILESCC(CO)(CO)NC(=O)C(F)F
InChIInChI=1S/C6H11F2NO3/c1-6(2-10,3-11)9-5(12)4(7)8/h4,10-11H,2-3H2,1H3,(H,9,12)
InChIKeyLVRFVYIPVZBMGK-UHFFFAOYSA-N
MW183.15 g/mol
LogP-0.89
Rot. Bonds4

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2-difluoroacetamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2-difluoroacetamide (PubChem CID 4608392) has the molecular formula C6H11F2NO3 and a molecular weight of 183.15 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2-difluoroacetamide
PubChem CID4608392
Molecular FormulaC6H11F2NO3
Molecular Weight183.15 g/mol
Exact Mass183.07
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2-difluoroacetamide
SMILESCC(CO)(CO)NC(=O)C(F)F
InChIInChI=1S/C6H11F2NO3/c1-6(2-10,3-11)9-5(12)4(7)8/h4,10-11H,2-3H2,1H3,(H,9,12)
InChIKeyLVRFVYIPVZBMGK-UHFFFAOYSA-N
XLogP-0.89
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2-difluoroacetamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2-difluoroacetamide (CID 4608392) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2-difluoroacetamide is CC(CO)(CO)NC(=O)C(F)F.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2-difluoroacetamide?
The InChIKey is LVRFVYIPVZBMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO3/c1-6(2-10,3-11)9-5(12)4(7)8/h4,10-11H,2-3H2,1H3,(H,9,12).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2-difluoroacetamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2-difluoroacetamide has a molecular weight of 183.15 g/mol, XLogP of -0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2-difluoroacetamide is sourced from PubChem (CID 4608392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).