4-ethyl-6,6,6-trifluoro-N-propylhexan-1-amine

C11H22F3N — CID 88903974

IUPAC4-ethyl-6,6,6-trifluoro-N-propylhexan-1-amine
SMILESCCCNCCCC(CC)CC(F)(F)F
InChIInChI=1S/C11H22F3N/c1-3-7-15-8-5-6-10(4-2)9-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyBGKSLXYALSEIGS-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.74
Rot. Bonds8

About 4-ethyl-6,6,6-trifluoro-N-propylhexan-1-amine

4-ethyl-6,6,6-trifluoro-N-propylhexan-1-amine (PubChem CID 88903974) has the molecular formula C11H22F3N and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-ethyl-6,6,6-trifluoro-N-propylhexan-1-amine.

Molecular Properties

Compound Name4-ethyl-6,6,6-trifluoro-N-propylhexan-1-amine
PubChem CID88903974
Molecular FormulaC11H22F3N
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC Name4-ethyl-6,6,6-trifluoro-N-propylhexan-1-amine
SMILESCCCNCCCC(CC)CC(F)(F)F
InChIInChI=1S/C11H22F3N/c1-3-7-15-8-5-6-10(4-2)9-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyBGKSLXYALSEIGS-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6,6,6-trifluoro-N-propylhexan-1-amine?
The IUPAC name of 4-ethyl-6,6,6-trifluoro-N-propylhexan-1-amine (CID 88903974) is 4-ethyl-6,6,6-trifluoro-N-propylhexan-1-amine.
What is the SMILES notation for 4-ethyl-6,6,6-trifluoro-N-propylhexan-1-amine?
The canonical SMILES for 4-ethyl-6,6,6-trifluoro-N-propylhexan-1-amine is CCCNCCCC(CC)CC(F)(F)F.
What is the InChIKey of 4-ethyl-6,6,6-trifluoro-N-propylhexan-1-amine?
The InChIKey is BGKSLXYALSEIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N/c1-3-7-15-8-5-6-10(4-2)9-11(12,13)14/h10,15H,3-9H2,1-2H3.
What are the key properties of 4-ethyl-6,6,6-trifluoro-N-propylhexan-1-amine?
4-ethyl-6,6,6-trifluoro-N-propylhexan-1-amine has a molecular weight of 225.30 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6,6,6-trifluoro-N-propylhexan-1-amine is sourced from PubChem (CID 88903974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).