3-amino-N-(2-fluoroethyl)-3-methylbutanamide

C7H15FN2O — CID 130504098

IUPAC3-amino-N-(2-fluoroethyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NCCF
InChIInChI=1S/C7H15FN2O/c1-7(2,9)5-6(11)10-4-3-8/h3-5,9H2,1-2H3,(H,10,11)
InChIKeyYMIAINGAVCGKQS-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.20
Rot. Bonds4

About 3-amino-N-(2-fluoroethyl)-3-methylbutanamide

3-amino-N-(2-fluoroethyl)-3-methylbutanamide (PubChem CID 130504098) has the molecular formula C7H15FN2O and a molecular weight of 162.21 g/mol. Its IUPAC name is 3-amino-N-(2-fluoroethyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2-fluoroethyl)-3-methylbutanamide
PubChem CID130504098
Molecular FormulaC7H15FN2O
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC Name3-amino-N-(2-fluoroethyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NCCF
InChIInChI=1S/C7H15FN2O/c1-7(2,9)5-6(11)10-4-3-8/h3-5,9H2,1-2H3,(H,10,11)
InChIKeyYMIAINGAVCGKQS-UHFFFAOYSA-N
XLogP0.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-fluoroethyl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(2-fluoroethyl)-3-methylbutanamide (CID 130504098) is 3-amino-N-(2-fluoroethyl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(2-fluoroethyl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(2-fluoroethyl)-3-methylbutanamide is CC(C)(N)CC(=O)NCCF.
What is the InChIKey of 3-amino-N-(2-fluoroethyl)-3-methylbutanamide?
The InChIKey is YMIAINGAVCGKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2O/c1-7(2,9)5-6(11)10-4-3-8/h3-5,9H2,1-2H3,(H,10,11).
What are the key properties of 3-amino-N-(2-fluoroethyl)-3-methylbutanamide?
3-amino-N-(2-fluoroethyl)-3-methylbutanamide has a molecular weight of 162.21 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-fluoroethyl)-3-methylbutanamide is sourced from PubChem (CID 130504098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).