2-amino-N-(2-fluoroethyl)-3,3-dimethylbutanamide

C8H17FN2O — CID 87624056

IUPAC2-amino-N-(2-fluoroethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NCCF
InChIInChI=1S/C8H17FN2O/c1-8(2,3)6(10)7(12)11-5-4-9/h6H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyMXNIXZLEVPNMEG-UHFFFAOYSA-N
MW176.23 g/mol
LogP0.45
Rot. Bonds3

About 2-amino-N-(2-fluoroethyl)-3,3-dimethylbutanamide

2-amino-N-(2-fluoroethyl)-3,3-dimethylbutanamide (PubChem CID 87624056) has the molecular formula C8H17FN2O and a molecular weight of 176.23 g/mol. Its IUPAC name is 2-amino-N-(2-fluoroethyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-fluoroethyl)-3,3-dimethylbutanamide
PubChem CID87624056
Molecular FormulaC8H17FN2O
Molecular Weight176.23 g/mol
Exact Mass176.13
IUPAC Name2-amino-N-(2-fluoroethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NCCF
InChIInChI=1S/C8H17FN2O/c1-8(2,3)6(10)7(12)11-5-4-9/h6H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyMXNIXZLEVPNMEG-UHFFFAOYSA-N
XLogP0.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-fluoroethyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(2-fluoroethyl)-3,3-dimethylbutanamide (CID 87624056) is 2-amino-N-(2-fluoroethyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(2-fluoroethyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(2-fluoroethyl)-3,3-dimethylbutanamide is CC(C)(C)C(N)C(=O)NCCF.
What is the InChIKey of 2-amino-N-(2-fluoroethyl)-3,3-dimethylbutanamide?
The InChIKey is MXNIXZLEVPNMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O/c1-8(2,3)6(10)7(12)11-5-4-9/h6H,4-5,10H2,1-3H3,(H,11,12).
What are the key properties of 2-amino-N-(2-fluoroethyl)-3,3-dimethylbutanamide?
2-amino-N-(2-fluoroethyl)-3,3-dimethylbutanamide has a molecular weight of 176.23 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-fluoroethyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 87624056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).