N-ethyl-3,3,3-trifluoro-N-prop-1-en-2-ylpropan-1-amine

C8H14F3N — CID 163422333

IUPACN-ethyl-3,3,3-trifluoro-N-prop-1-en-2-ylpropan-1-amine
SMILESC=C(C)N(CC)CCC(F)(F)F
InChIInChI=1S/C8H14F3N/c1-4-12(7(2)3)6-5-8(9,10)11/h2,4-6H2,1,3H3
InChIKeyAJMNDYLJSDUZRQ-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.79
Rot. Bonds4

About N-ethyl-3,3,3-trifluoro-N-prop-1-en-2-ylpropan-1-amine

N-ethyl-3,3,3-trifluoro-N-prop-1-en-2-ylpropan-1-amine (PubChem CID 163422333) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is N-ethyl-3,3,3-trifluoro-N-prop-1-en-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3,3-trifluoro-N-prop-1-en-2-ylpropan-1-amine
PubChem CID163422333
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC NameN-ethyl-3,3,3-trifluoro-N-prop-1-en-2-ylpropan-1-amine
SMILESC=C(C)N(CC)CCC(F)(F)F
InChIInChI=1S/C8H14F3N/c1-4-12(7(2)3)6-5-8(9,10)11/h2,4-6H2,1,3H3
InChIKeyAJMNDYLJSDUZRQ-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3,3-trifluoro-N-prop-1-en-2-ylpropan-1-amine?
The IUPAC name of N-ethyl-3,3,3-trifluoro-N-prop-1-en-2-ylpropan-1-amine (CID 163422333) is N-ethyl-3,3,3-trifluoro-N-prop-1-en-2-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-3,3,3-trifluoro-N-prop-1-en-2-ylpropan-1-amine?
The canonical SMILES for N-ethyl-3,3,3-trifluoro-N-prop-1-en-2-ylpropan-1-amine is C=C(C)N(CC)CCC(F)(F)F.
What is the InChIKey of N-ethyl-3,3,3-trifluoro-N-prop-1-en-2-ylpropan-1-amine?
The InChIKey is AJMNDYLJSDUZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-4-12(7(2)3)6-5-8(9,10)11/h2,4-6H2,1,3H3.
What are the key properties of N-ethyl-3,3,3-trifluoro-N-prop-1-en-2-ylpropan-1-amine?
N-ethyl-3,3,3-trifluoro-N-prop-1-en-2-ylpropan-1-amine has a molecular weight of 181.20 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3,3-trifluoro-N-prop-1-en-2-ylpropan-1-amine is sourced from PubChem (CID 163422333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).