1,1,1-trifluoro-3-methylbutan-2-amine

C5H10F3N — CID 44717389

IUPAC1,1,1-trifluoro-3-methylbutan-2-amine
SMILESCC(C)C(N)C(F)(F)F
InChIInChI=1S/C5H10F3N/c1-3(2)4(9)5(6,7)8/h3-4H,9H2,1-2H3
InChIKeyYGGUXSPKQBCCRM-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.53
Rot. Bonds1

About 1,1,1-trifluoro-3-methylbutan-2-amine

1,1,1-trifluoro-3-methylbutan-2-amine (PubChem CID 44717389) has the molecular formula C5H10F3N and a molecular weight of 141.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methylbutan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methylbutan-2-amine
PubChem CID44717389
Molecular FormulaC5H10F3N
Molecular Weight141.14 g/mol
Exact Mass141.08
IUPAC Name1,1,1-trifluoro-3-methylbutan-2-amine
SMILESCC(C)C(N)C(F)(F)F
InChIInChI=1S/C5H10F3N/c1-3(2)4(9)5(6,7)8/h3-4H,9H2,1-2H3
InChIKeyYGGUXSPKQBCCRM-UHFFFAOYSA-N
XLogP1.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.53
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-3-methylbutan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3-methylbutan-2-amine (CID 44717389) is 1,1,1-trifluoro-3-methylbutan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3-methylbutan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3-methylbutan-2-amine is CC(C)C(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methylbutan-2-amine?
The InChIKey is YGGUXSPKQBCCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3N/c1-3(2)4(9)5(6,7)8/h3-4H,9H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-methylbutan-2-amine?
1,1,1-trifluoro-3-methylbutan-2-amine has a molecular weight of 141.14 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-methylbutan-2-amine is sourced from PubChem (CID 44717389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).