2-cyano-2,2-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)acetamide

C7H10F2N2O2 — CID 130612693

IUPAC2-cyano-2,2-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
SMILESCC(C)(CO)NC(=O)C(F)(F)C#N
InChIInChI=1S/C7H10F2N2O2/c1-6(2,4-12)11-5(13)7(8,9)3-10/h12H,4H2,1-2H3,(H,11,13)
InChIKeyBSGJLEMHNMVHNI-UHFFFAOYSA-N
MW192.16 g/mol
LogP0.03
Rot. Bonds3

About 2-cyano-2,2-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)acetamide

2-cyano-2,2-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)acetamide (PubChem CID 130612693) has the molecular formula C7H10F2N2O2 and a molecular weight of 192.16 g/mol. Its IUPAC name is 2-cyano-2,2-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-cyano-2,2-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
PubChem CID130612693
Molecular FormulaC7H10F2N2O2
Molecular Weight192.16 g/mol
Exact Mass192.07
IUPAC Name2-cyano-2,2-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
SMILESCC(C)(CO)NC(=O)C(F)(F)C#N
InChIInChI=1S/C7H10F2N2O2/c1-6(2,4-12)11-5(13)7(8,9)3-10/h12H,4H2,1-2H3,(H,11,13)
InChIKeyBSGJLEMHNMVHNI-UHFFFAOYSA-N
XLogP0.03
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide
CID 107857130
2,2,3,3,4,4,5,5,5-nonafluoro-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide
CID 5057745
1-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)urea
CID 108866090
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanamide
CID 18185421
N-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide
CID 63193771
2,2-difluoro-3-oxobutanenitrile
CID 141364728
2-cyano-2-[[2-cyano-1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-oxopropan-2-yl]diazenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 88553786
4-methyl-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
CID 62043301
2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide
CID 61059693
N-(1-hydroxy-2-methylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43500828
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 61251175
N-(1-hydroxy-2-methylpropan-2-yl)-2-(prop-2-ynylamino)acetamide
CID 79286814

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2,2-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
The IUPAC name of 2-cyano-2,2-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)acetamide (CID 130612693) is 2-cyano-2,2-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)acetamide.
What is the SMILES notation for 2-cyano-2,2-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
The canonical SMILES for 2-cyano-2,2-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)acetamide is CC(C)(CO)NC(=O)C(F)(F)C#N.
What is the InChIKey of 2-cyano-2,2-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
The InChIKey is BSGJLEMHNMVHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O2/c1-6(2,4-12)11-5(13)7(8,9)3-10/h12H,4H2,1-2H3,(H,11,13).
What are the key properties of 2-cyano-2,2-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
2-cyano-2,2-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)acetamide has a molecular weight of 192.16 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2,2-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)acetamide is sourced from PubChem (CID 130612693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).