1,1,1-trifluoro-4-methylpentan-2-amine

C6H12F3N — CID 20505662

IUPAC1,1,1-trifluoro-4-methylpentan-2-amine
SMILESCC(C)CC(N)C(F)(F)F
InChIInChI=1S/C6H12F3N/c1-4(2)3-5(10)6(7,8)9/h4-5H,3,10H2,1-2H3
InChIKeyGAIOQBNXIHMNHE-UHFFFAOYSA-N
MW155.16 g/mol
LogP1.92
Rot. Bonds2

About 1,1,1-trifluoro-4-methylpentan-2-amine

1,1,1-trifluoro-4-methylpentan-2-amine (PubChem CID 20505662) has the molecular formula C6H12F3N and a molecular weight of 155.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methylpentan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methylpentan-2-amine
PubChem CID20505662
Molecular FormulaC6H12F3N
Molecular Weight155.16 g/mol
Exact Mass155.09
IUPAC Name1,1,1-trifluoro-4-methylpentan-2-amine
SMILESCC(C)CC(N)C(F)(F)F
InChIInChI=1S/C6H12F3N/c1-4(2)3-5(10)6(7,8)9/h4-5H,3,10H2,1-2H3
InChIKeyGAIOQBNXIHMNHE-UHFFFAOYSA-N
XLogP1.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methylpentan-2-amine?
The IUPAC name of 1,1,1-trifluoro-4-methylpentan-2-amine (CID 20505662) is 1,1,1-trifluoro-4-methylpentan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-4-methylpentan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-4-methylpentan-2-amine is CC(C)CC(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methylpentan-2-amine?
The InChIKey is GAIOQBNXIHMNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N/c1-4(2)3-5(10)6(7,8)9/h4-5H,3,10H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-4-methylpentan-2-amine?
1,1,1-trifluoro-4-methylpentan-2-amine has a molecular weight of 155.16 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methylpentan-2-amine is sourced from PubChem (CID 20505662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).