1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidine-3-carboxamide

C10H18F3N3O — CID 114081754

IUPAC1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidine-3-carboxamide
SMILESCCC(N)C(N1CCC(C(N)=O)C1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-2-7(14)8(10(11,12)13)16-4-3-6(5-16)9(15)17/h6-8H,2-5,14H2,1H3,(H2,15,17)
InChIKeyAQZANXFBADWVIV-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.46
Rot. Bonds4

About 1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidine-3-carboxamide

1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidine-3-carboxamide (PubChem CID 114081754) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidine-3-carboxamide
PubChem CID114081754
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidine-3-carboxamide
SMILESCCC(N)C(N1CCC(C(N)=O)C1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-2-7(14)8(10(11,12)13)16-4-3-6(5-16)9(15)17/h6-8H,2-5,14H2,1H3,(H2,15,17)
InChIKeyAQZANXFBADWVIV-UHFFFAOYSA-N
XLogP0.46
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidine-3-carboxamide (CID 114081754) is 1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidine-3-carboxamide is CCC(N)C(N1CCC(C(N)=O)C1)C(F)(F)F.
What is the InChIKey of 1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is AQZANXFBADWVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-2-7(14)8(10(11,12)13)16-4-3-6(5-16)9(15)17/h6-8H,2-5,14H2,1H3,(H2,15,17).
What are the key properties of 1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidine-3-carboxamide?
1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 114081754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).