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

C8H14F3N3O — CID 43752688

IUPAC1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-2-carboxamide
SMILESNCC(N1CCCC1C(N)=O)C(F)(F)F
InChIInChI=1S/C8H14F3N3O/c9-8(10,11)6(4-12)14-3-1-2-5(14)7(13)15/h5-6H,1-4,12H2,(H2,13,15)
InChIKeyCQIUCQIBVQDJIP-UHFFFAOYSA-N
MW225.21 g/mol
LogP-0.17
Rot. Bonds3

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

1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 43752688) has the molecular formula C8H14F3N3O and a molecular weight of 225.21 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-2-carboxamide
PubChem CID43752688
Molecular FormulaC8H14F3N3O
Molecular Weight225.21 g/mol
Exact Mass225.11
IUPAC Name1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-2-carboxamide
SMILESNCC(N1CCCC1C(N)=O)C(F)(F)F
InChIInChI=1S/C8H14F3N3O/c9-8(10,11)6(4-12)14-3-1-2-5(14)7(13)15/h5-6H,1-4,12H2,(H2,13,15)
InChIKeyCQIUCQIBVQDJIP-UHFFFAOYSA-N
XLogP-0.17
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 5-0.17
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-trifluoropropan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-2-carboxamide (CID 43752688) is 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-2-carboxamide is NCC(N1CCCC1C(N)=O)C(F)(F)F.
What is the InChIKey of 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is CQIUCQIBVQDJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O/c9-8(10,11)6(4-12)14-3-1-2-5(14)7(13)15/h5-6H,1-4,12H2,(H2,13,15).
What are the key properties of 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-2-carboxamide?
1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 225.21 g/mol, XLogP of -0.17, 3 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-trifluoropropan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43752688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).