2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide

C10H17F3N2O2 — CID 79805466

IUPAC2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCN(CC1CCCO1)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-9(14,10(11,12)13)8(16)15(2)6-7-4-3-5-17-7/h7H,3-6,14H2,1-2H3
InChIKeyBIEWNUPWNAQCKE-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.90
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide

2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 79805466) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
PubChem CID79805466
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCN(CC1CCCO1)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-9(14,10(11,12)13)8(16)15(2)6-7-4-3-5-17-7/h7H,3-6,14H2,1-2H3
InChIKeyBIEWNUPWNAQCKE-UHFFFAOYSA-N
XLogP0.90
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide (CID 79805466) is 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide is CN(CC1CCCO1)C(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is BIEWNUPWNAQCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-9(14,10(11,12)13)8(16)15(2)6-7-4-3-5-17-7/h7H,3-6,14H2,1-2H3.
What are the key properties of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide?
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 254.25 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 79805466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).