1,1,1-trifluoro-N-propylhept-6-yn-2-amine

C10H16F3N — CID 105033987

IUPAC1,1,1-trifluoro-N-propylhept-6-yn-2-amine
SMILESC#CCCCC(NCCC)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-3-5-6-7-9(10(11,12)13)14-8-4-2/h1,9,14H,4-8H2,2H3
InChIKeyYBCWGNBEYWPXCF-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.72
Rot. Bonds6

About 1,1,1-trifluoro-N-propylhept-6-yn-2-amine

1,1,1-trifluoro-N-propylhept-6-yn-2-amine (PubChem CID 105033987) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-propylhept-6-yn-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-propylhept-6-yn-2-amine
PubChem CID105033987
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name1,1,1-trifluoro-N-propylhept-6-yn-2-amine
SMILESC#CCCCC(NCCC)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-3-5-6-7-9(10(11,12)13)14-8-4-2/h1,9,14H,4-8H2,2H3
InChIKeyYBCWGNBEYWPXCF-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)oct-7-yn-3-amine
CID 103312265
1,1,1-trifluoro-N-propylheptan-2-amine
CID 66205587
4-methyl-N-propyldec-9-yn-5-amine
CID 105034144
1-(2,3,4,5,6-pentafluorophenyl)-N-propylhex-5-yn-1-amine
CID 105033689
(2S)-1,1,1-trifluoro-3-iodo-N-propylpropan-2-amine
CID 159756276
3-ethyl-3-N,3-N-dimethyl-4-N-propyloct-7-yne-3,4-diamine
CID 79061768
1-(2-adamantyl)-N-propylhex-5-yn-1-amine
CID 105033843
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine
CID 105179553
N-ethyl-1,1,1-trifluoroheptan-2-amine
CID 66204149
1,1,1-trifluoro-N-propylhex-4-yn-2-amine
CID 115819818
1-(1-methylcyclopentyl)-N-propylhex-5-yn-1-amine
CID 105034027
N,3,3-trimethylnon-8-yn-4-amine
CID 105033729

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-propylhept-6-yn-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-propylhept-6-yn-2-amine (CID 105033987) is 1,1,1-trifluoro-N-propylhept-6-yn-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-propylhept-6-yn-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-propylhept-6-yn-2-amine is C#CCCCC(NCCC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-propylhept-6-yn-2-amine?
The InChIKey is YBCWGNBEYWPXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N/c1-3-5-6-7-9(10(11,12)13)14-8-4-2/h1,9,14H,4-8H2,2H3.
What are the key properties of 1,1,1-trifluoro-N-propylhept-6-yn-2-amine?
1,1,1-trifluoro-N-propylhept-6-yn-2-amine has a molecular weight of 207.24 g/mol, XLogP of 2.72, 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-propylhept-6-yn-2-amine is sourced from PubChem (CID 105033987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).