(3S)-3-aminocyclopentan-1-one;2,2,2-trifluoroacetic acid

C7H10F3NO3 — CID 169448459

IUPAC(3S)-3-aminocyclopentan-1-one;2,2,2-trifluoroacetic acid
SMILESN[C@H]1CCC(=O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H9NO.C2HF3O2/c6-4-1-2-5(7)3-4;3-2(4,5)1(6)7/h4H,1-3,6H2;(H,6,7)/t4-;/m0./s1
InChIKeyDRFTWXMIJGPVGO-WCCKRBBISA-N
MW213.15 g/mol
LogP0.70
Rot. Bonds

About (3S)-3-aminocyclopentan-1-one;2,2,2-trifluoroacetic acid

(3S)-3-aminocyclopentan-1-one;2,2,2-trifluoroacetic acid (PubChem CID 169448459) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is (3S)-3-aminocyclopentan-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3S)-3-aminocyclopentan-1-one;2,2,2-trifluoroacetic acid
PubChem CID169448459
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name(3S)-3-aminocyclopentan-1-one;2,2,2-trifluoroacetic acid
SMILESN[C@H]1CCC(=O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H9NO.C2HF3O2/c6-4-1-2-5(7)3-4;3-2(4,5)1(6)7/h4H,1-3,6H2;(H,6,7)/t4-;/m0./s1
InChIKeyDRFTWXMIJGPVGO-WCCKRBBISA-N
XLogP0.70
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Acetic acid;5-amino-1,1,1-trifluoropentan-2-one
CID 162310282
5-Aminopentan-2-one 2,2,2-trifluoroacetate
CID 119032103
3-Aminocyclopentan-1-one trifluoroacetate
CID 169448458
(3R)-3-Aminocyclopentan-1-one trifluoroacetate
CID 169448460

Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminocyclopentan-1-one;2,2,2-trifluoroacetic acid?
The IUPAC name of (3S)-3-aminocyclopentan-1-one;2,2,2-trifluoroacetic acid (CID 169448459) is (3S)-3-aminocyclopentan-1-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3S)-3-aminocyclopentan-1-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3S)-3-aminocyclopentan-1-one;2,2,2-trifluoroacetic acid is N[C@H]1CCC(=O)C1.O=C(O)C(F)(F)F.
What is the InChIKey of (3S)-3-aminocyclopentan-1-one;2,2,2-trifluoroacetic acid?
The InChIKey is DRFTWXMIJGPVGO-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO.C2HF3O2/c6-4-1-2-5(7)3-4;3-2(4,5)1(6)7/h4H,1-3,6H2;(H,6,7)/t4-;/m0./s1.
What are the key properties of (3S)-3-aminocyclopentan-1-one;2,2,2-trifluoroacetic acid?
(3S)-3-aminocyclopentan-1-one;2,2,2-trifluoroacetic acid has a molecular weight of 213.15 g/mol, XLogP of 0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-aminocyclopentan-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 169448459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).