(3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-one

C6H10F3NO — CID 10608324

IUPAC(3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-one
SMILESCC(C)[C@H](N)C(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-3(2)4(10)5(11)6(7,8)9/h3-4H,10H2,1-2H3/t4-/m0/s1
InChIKeyUBHFSJUXGYPRQN-BYPYZUCNSA-N
MW169.15 g/mol
LogP1.10
Rot. Bonds2

About (3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-one

(3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-one (PubChem CID 10608324) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is (3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-one
PubChem CID10608324
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name(3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-one
SMILESCC(C)[C@H](N)C(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-3(2)4(10)5(11)6(7,8)9/h3-4H,10H2,1-2H3/t4-/m0/s1
InChIKeyUBHFSJUXGYPRQN-BYPYZUCNSA-N
XLogP1.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-one?
The IUPAC name of (3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-one (CID 10608324) is (3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-one.
What is the SMILES notation for (3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-one?
The canonical SMILES for (3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-one is CC(C)[C@H](N)C(=O)C(F)(F)F.
What is the InChIKey of (3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-one?
The InChIKey is UBHFSJUXGYPRQN-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-3(2)4(10)5(11)6(7,8)9/h3-4H,10H2,1-2H3/t4-/m0/s1.
What are the key properties of (3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-one?
(3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-one has a molecular weight of 169.15 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-one is sourced from PubChem (CID 10608324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).