N-(2-cyanopropan-2-yl)-2-fluoro-2-methylpropanamide

C8H13FN2O — CID 130165069

IUPACN-(2-cyanopropan-2-yl)-2-fluoro-2-methylpropanamide
SMILESCC(C)(C#N)NC(=O)C(C)(C)F
InChIInChI=1S/C8H13FN2O/c1-7(2,5-10)11-6(12)8(3,4)9/h1-4H3,(H,11,12)
InChIKeySXCASFYRAPKIIN-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.15
Rot. Bonds2

About N-(2-cyanopropan-2-yl)-2-fluoro-2-methylpropanamide

N-(2-cyanopropan-2-yl)-2-fluoro-2-methylpropanamide (PubChem CID 130165069) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2-fluoro-2-methylpropanamide
PubChem CID130165069
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC NameN-(2-cyanopropan-2-yl)-2-fluoro-2-methylpropanamide
SMILESCC(C)(C#N)NC(=O)C(C)(C)F
InChIInChI=1S/C8H13FN2O/c1-7(2,5-10)11-6(12)8(3,4)9/h1-4H3,(H,11,12)
InChIKeySXCASFYRAPKIIN-UHFFFAOYSA-N
XLogP1.15
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-2-fluoro-2-methylpropanamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-2-fluoro-2-methylpropanamide (CID 130165069) is N-(2-cyanopropan-2-yl)-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-2-fluoro-2-methylpropanamide is CC(C)(C#N)NC(=O)C(C)(C)F.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2-fluoro-2-methylpropanamide?
The InChIKey is SXCASFYRAPKIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-7(2,5-10)11-6(12)8(3,4)9/h1-4H3,(H,11,12).
What are the key properties of N-(2-cyanopropan-2-yl)-2-fluoro-2-methylpropanamide?
N-(2-cyanopropan-2-yl)-2-fluoro-2-methylpropanamide has a molecular weight of 172.20 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 130165069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).