5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine

C15H22F3N — CID 64564957

IUPAC5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine
SMILESCCC(CC)(c1ccccc1)C(N)CCC(F)(F)F
InChIInChI=1S/C15H22F3N/c1-3-14(4-2,12-8-6-5-7-9-12)13(19)10-11-15(16,17)18/h5-9,13H,3-4,10-11,19H2,1-2H3
InChIKeyLPXYSKDPLSJVNJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.41
Rot. Bonds6

About 5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine

5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine (PubChem CID 64564957) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine.

Molecular Properties

Compound Name5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine
PubChem CID64564957
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine
SMILESCCC(CC)(c1ccccc1)C(N)CCC(F)(F)F
InChIInChI=1S/C15H22F3N/c1-3-14(4-2,12-8-6-5-7-9-12)13(19)10-11-15(16,17)18/h5-9,13H,3-4,10-11,19H2,1-2H3
InChIKeyLPXYSKDPLSJVNJ-UHFFFAOYSA-N
XLogP4.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine?
The IUPAC name of 5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine (CID 64564957) is 5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine.
What is the SMILES notation for 5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine?
The canonical SMILES for 5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine is CCC(CC)(c1ccccc1)C(N)CCC(F)(F)F.
What is the InChIKey of 5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine?
The InChIKey is LPXYSKDPLSJVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-3-14(4-2,12-8-6-5-7-9-12)13(19)10-11-15(16,17)18/h5-9,13H,3-4,10-11,19H2,1-2H3.
What are the key properties of 5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine?
5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine has a molecular weight of 273.34 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine is sourced from PubChem (CID 64564957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).