1,1,1-trifluoro-N,N-dimethylbutan-2-amine

C6H12F3N — CID 88991095

IUPAC1,1,1-trifluoro-N,N-dimethylbutan-2-amine
SMILESCCC(N(C)C)C(F)(F)F
InChIInChI=1S/C6H12F3N/c1-4-5(10(2)3)6(7,8)9/h5H,4H2,1-3H3
InChIKeyCEANDYOTUBDSBM-UHFFFAOYSA-N
MW155.16 g/mol
LogP1.89
Rot. Bonds2

About 1,1,1-trifluoro-N,N-dimethylbutan-2-amine

1,1,1-trifluoro-N,N-dimethylbutan-2-amine (PubChem CID 88991095) has the molecular formula C6H12F3N and a molecular weight of 155.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-N,N-dimethylbutan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N,N-dimethylbutan-2-amine
PubChem CID88991095
Molecular FormulaC6H12F3N
Molecular Weight155.16 g/mol
Exact Mass155.09
IUPAC Name1,1,1-trifluoro-N,N-dimethylbutan-2-amine
SMILESCCC(N(C)C)C(F)(F)F
InChIInChI=1S/C6H12F3N/c1-4-5(10(2)3)6(7,8)9/h5H,4H2,1-3H3
InChIKeyCEANDYOTUBDSBM-UHFFFAOYSA-N
XLogP1.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N,N-dimethylbutan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N,N-dimethylbutan-2-amine (CID 88991095) is 1,1,1-trifluoro-N,N-dimethylbutan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N,N-dimethylbutan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N,N-dimethylbutan-2-amine is CCC(N(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N,N-dimethylbutan-2-amine?
The InChIKey is CEANDYOTUBDSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N/c1-4-5(10(2)3)6(7,8)9/h5H,4H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-N,N-dimethylbutan-2-amine?
1,1,1-trifluoro-N,N-dimethylbutan-2-amine has a molecular weight of 155.16 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N,N-dimethylbutan-2-amine is sourced from PubChem (CID 88991095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).