N-(2,2,2-trifluoroethyl)hex-5-yn-1-amine

C8H12F3N — CID 106211409

IUPACN-(2,2,2-trifluoroethyl)hex-5-yn-1-amine
SMILESC#CCCCCNCC(F)(F)F
InChIInChI=1S/C8H12F3N/c1-2-3-4-5-6-12-7-8(9,10)11/h1,12H,3-7H2
InChIKeyPYQWADASYJCPPI-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.94
Rot. Bonds5

About N-(2,2,2-trifluoroethyl)hex-5-yn-1-amine

N-(2,2,2-trifluoroethyl)hex-5-yn-1-amine (PubChem CID 106211409) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)hex-5-yn-1-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)hex-5-yn-1-amine
PubChem CID106211409
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC NameN-(2,2,2-trifluoroethyl)hex-5-yn-1-amine
SMILESC#CCCCCNCC(F)(F)F
InChIInChI=1S/C8H12F3N/c1-2-3-4-5-6-12-7-8(9,10)11/h1,12H,3-7H2
InChIKeyPYQWADASYJCPPI-UHFFFAOYSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.94
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

N-(3,3,3-trifluoropropyl)hex-5-yn-1-amine
CID 106211547
3-[(hex-5-ynylamino)methyl]pentan-3-ol
CID 106211950
4-chloro-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 106844209
1-(hex-5-ynylamino)-2,3-dimethylbutan-2-ol
CID 106211303
4-(hex-5-ynylamino)butan-1-ol
CID 106211716
N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine
CID 61150221
16,16,16-trifluorohexadec-1-yne
CID 102581586
3-(hex-5-ynylamino)propanenitrile
CID 106211843
N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115520284
3,3,3-trifluoro-2-[(hex-5-ynylamino)methyl]-N'-hydroxypropanimidamide
CID 106213657
2,3-dimethyl-1-(pent-4-ynylamino)butan-2-ol
CID 106221057
trideca-1,12-diyne
CID 13119526

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)hex-5-yn-1-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)hex-5-yn-1-amine (CID 106211409) is N-(2,2,2-trifluoroethyl)hex-5-yn-1-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)hex-5-yn-1-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)hex-5-yn-1-amine is C#CCCCCNCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethyl)hex-5-yn-1-amine?
The InChIKey is PYQWADASYJCPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-2-3-4-5-6-12-7-8(9,10)11/h1,12H,3-7H2.
What are the key properties of N-(2,2,2-trifluoroethyl)hex-5-yn-1-amine?
N-(2,2,2-trifluoroethyl)hex-5-yn-1-amine has a molecular weight of 179.18 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)hex-5-yn-1-amine is sourced from PubChem (CID 106211409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).