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

C7H14F3N — CID 66207199

IUPACN-ethyl-1,1,1-trifluoro-3-methylbutan-2-amine
SMILESCCNC(C(C)C)C(F)(F)F
InChIInChI=1S/C7H14F3N/c1-4-11-6(5(2)3)7(8,9)10/h5-6,11H,4H2,1-3H3
InChIKeyBTGOGRFMJYWAJK-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.18
Rot. Bonds3

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

N-ethyl-1,1,1-trifluoro-3-methylbutan-2-amine (PubChem CID 66207199) has the molecular formula C7H14F3N and a molecular weight of 169.19 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-3-methylbutan-2-amine
PubChem CID66207199
Molecular FormulaC7H14F3N
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC NameN-ethyl-1,1,1-trifluoro-3-methylbutan-2-amine
SMILESCCNC(C(C)C)C(F)(F)F
InChIInChI=1S/C7H14F3N/c1-4-11-6(5(2)3)7(8,9)10/h5-6,11H,4H2,1-3H3
InChIKeyBTGOGRFMJYWAJK-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-3-methylbutan-2-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-3-methylbutan-2-amine (CID 66207199) is N-ethyl-1,1,1-trifluoro-3-methylbutan-2-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-3-methylbutan-2-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-3-methylbutan-2-amine is CCNC(C(C)C)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-3-methylbutan-2-amine?
The InChIKey is BTGOGRFMJYWAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N/c1-4-11-6(5(2)3)7(8,9)10/h5-6,11H,4H2,1-3H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-3-methylbutan-2-amine?
N-ethyl-1,1,1-trifluoro-3-methylbutan-2-amine has a molecular weight of 169.19 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-3-methylbutan-2-amine is sourced from PubChem (CID 66207199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).