(E,2R)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)hept-4-en-2-amine

C12H22F3N — CID 146266976

IUPAC(E,2R)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)hept-4-en-2-amine
SMILESCC/C=C(\CC)C[C@@H](C)N(C)CC(F)(F)F
InChIInChI=1S/C12H22F3N/c1-5-7-11(6-2)8-10(3)16(4)9-12(13,14)15/h7,10H,5-6,8-9H2,1-4H3/b11-7+/t10-/m1/s1
InChIKeyAGXJQXJICNDFOM-UEUZTHOGSA-N
MW237.31 g/mol
LogP4.01
Rot. Bonds6

About (E,2R)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)hept-4-en-2-amine

(E,2R)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)hept-4-en-2-amine (PubChem CID 146266976) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is (E,2R)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)hept-4-en-2-amine.

Molecular Properties

Compound Name(E,2R)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)hept-4-en-2-amine
PubChem CID146266976
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name(E,2R)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)hept-4-en-2-amine
SMILESCC/C=C(\CC)C[C@@H](C)N(C)CC(F)(F)F
InChIInChI=1S/C12H22F3N/c1-5-7-11(6-2)8-10(3)16(4)9-12(13,14)15/h7,10H,5-6,8-9H2,1-4H3/b11-7+/t10-/m1/s1
InChIKeyAGXJQXJICNDFOM-UEUZTHOGSA-N
XLogP4.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,2R)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)hept-4-en-2-amine?
The IUPAC name of (E,2R)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)hept-4-en-2-amine (CID 146266976) is (E,2R)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)hept-4-en-2-amine.
What is the SMILES notation for (E,2R)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)hept-4-en-2-amine?
The canonical SMILES for (E,2R)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)hept-4-en-2-amine is CC/C=C(\CC)C[C@@H](C)N(C)CC(F)(F)F.
What is the InChIKey of (E,2R)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)hept-4-en-2-amine?
The InChIKey is AGXJQXJICNDFOM-UEUZTHOGSA-N. The full InChI is InChI=1S/C12H22F3N/c1-5-7-11(6-2)8-10(3)16(4)9-12(13,14)15/h7,10H,5-6,8-9H2,1-4H3/b11-7+/t10-/m1/s1.
What are the key properties of (E,2R)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)hept-4-en-2-amine?
(E,2R)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)hept-4-en-2-amine has a molecular weight of 237.31 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)hept-4-en-2-amine is sourced from PubChem (CID 146266976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).