N-[(1R)-1-cyanoethyl]-3,3-difluoro-2,2-dimethylpropanamide

C8H12F2N2O — CID 130677855

IUPACN-[(1R)-1-cyanoethyl]-3,3-difluoro-2,2-dimethylpropanamide
SMILESC[C@H](C#N)NC(=O)C(C)(C)C(F)F
InChIInChI=1S/C8H12F2N2O/c1-5(4-11)12-7(13)8(2,3)6(9)10/h5-6H,1-3H3,(H,12,13)/t5-/m1/s1
InChIKeyMBGAARSTEXRTQB-RXMQYKEDSA-N
MW190.19 g/mol
LogP1.31
Rot. Bonds3

About N-[(1R)-1-cyanoethyl]-3,3-difluoro-2,2-dimethylpropanamide

N-[(1R)-1-cyanoethyl]-3,3-difluoro-2,2-dimethylpropanamide (PubChem CID 130677855) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is N-[(1R)-1-cyanoethyl]-3,3-difluoro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1R)-1-cyanoethyl]-3,3-difluoro-2,2-dimethylpropanamide
PubChem CID130677855
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC NameN-[(1R)-1-cyanoethyl]-3,3-difluoro-2,2-dimethylpropanamide
SMILESC[C@H](C#N)NC(=O)C(C)(C)C(F)F
InChIInChI=1S/C8H12F2N2O/c1-5(4-11)12-7(13)8(2,3)6(9)10/h5-6H,1-3H3,(H,12,13)/t5-/m1/s1
InChIKeyMBGAARSTEXRTQB-RXMQYKEDSA-N
XLogP1.31
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyanoethyl]-3,3-difluoro-2,2-dimethylpropanamide?
The IUPAC name of N-[(1R)-1-cyanoethyl]-3,3-difluoro-2,2-dimethylpropanamide (CID 130677855) is N-[(1R)-1-cyanoethyl]-3,3-difluoro-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1R)-1-cyanoethyl]-3,3-difluoro-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1R)-1-cyanoethyl]-3,3-difluoro-2,2-dimethylpropanamide is C[C@H](C#N)NC(=O)C(C)(C)C(F)F.
What is the InChIKey of N-[(1R)-1-cyanoethyl]-3,3-difluoro-2,2-dimethylpropanamide?
The InChIKey is MBGAARSTEXRTQB-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-5(4-11)12-7(13)8(2,3)6(9)10/h5-6H,1-3H3,(H,12,13)/t5-/m1/s1.
What are the key properties of N-[(1R)-1-cyanoethyl]-3,3-difluoro-2,2-dimethylpropanamide?
N-[(1R)-1-cyanoethyl]-3,3-difluoro-2,2-dimethylpropanamide has a molecular weight of 190.19 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyanoethyl]-3,3-difluoro-2,2-dimethylpropanamide is sourced from PubChem (CID 130677855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).