1,1,1-trifluoro-N-propyloct-6-yn-4-amine

C11H18F3N — CID 79964063

IUPAC1,1,1-trifluoro-N-propyloct-6-yn-4-amine
SMILESCC#CCC(CCC(F)(F)F)NCCC
InChIInChI=1S/C11H18F3N/c1-3-5-6-10(15-9-4-2)7-8-11(12,13)14/h10,15H,4,6-9H2,1-2H3
InChIKeyDEULKQZEUWFJQF-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.11
Rot. Bonds6

About 1,1,1-trifluoro-N-propyloct-6-yn-4-amine

1,1,1-trifluoro-N-propyloct-6-yn-4-amine (PubChem CID 79964063) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-propyloct-6-yn-4-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-propyloct-6-yn-4-amine
PubChem CID79964063
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name1,1,1-trifluoro-N-propyloct-6-yn-4-amine
SMILESCC#CCC(CCC(F)(F)F)NCCC
InChIInChI=1S/C11H18F3N/c1-3-5-6-10(15-9-4-2)7-8-11(12,13)14/h10,15H,4,6-9H2,1-2H3
InChIKeyDEULKQZEUWFJQF-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-difluoroethoxy)-N-propylhept-5-yn-3-amine
CID 103149853
1,1,1-trifluoro-N-propylhex-4-yn-2-amine
CID 115819818
1,1,1-trifluoro-N-propyldodecan-4-amine
CID 79964145
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine
CID 103475962
8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine
CID 115516392
1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
CID 65128350
N-ethyl-1,1,1-trifluoro-8,8-dimethylnon-6-yn-4-amine
CID 114190311
1-(2-methylpropylsulfanyl)-N-propylhex-4-yn-2-amine
CID 65136852
6-ethyl-1,1,1-trifluoro-N-propyldecan-4-amine
CID 79964664
1-cyclopentyl-6,6,6-trifluoro-N-propylhexan-3-amine
CID 104992726
6,6,6-trifluoro-1-propan-2-yloxy-N-propylhexan-2-amine
CID 105174504
2,2,8,8-tetramethyl-N-propylnonan-5-amine
CID 173351827

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-propyloct-6-yn-4-amine?
The IUPAC name of 1,1,1-trifluoro-N-propyloct-6-yn-4-amine (CID 79964063) is 1,1,1-trifluoro-N-propyloct-6-yn-4-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-propyloct-6-yn-4-amine?
The canonical SMILES for 1,1,1-trifluoro-N-propyloct-6-yn-4-amine is CC#CCC(CCC(F)(F)F)NCCC.
What is the InChIKey of 1,1,1-trifluoro-N-propyloct-6-yn-4-amine?
The InChIKey is DEULKQZEUWFJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N/c1-3-5-6-10(15-9-4-2)7-8-11(12,13)14/h10,15H,4,6-9H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-propyloct-6-yn-4-amine?
1,1,1-trifluoro-N-propyloct-6-yn-4-amine has a molecular weight of 221.27 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-propyloct-6-yn-4-amine is sourced from PubChem (CID 79964063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).