N-ethyl-N-(2,2,2-trifluoroethyl)pent-4-yn-1-amine

C9H14F3N — CID 115873084

IUPACN-ethyl-N-(2,2,2-trifluoroethyl)pent-4-yn-1-amine
SMILESC#CCCCN(CC)CC(F)(F)F
InChIInChI=1S/C9H14F3N/c1-3-5-6-7-13(4-2)8-9(10,11)12/h1H,4-8H2,2H3
InChIKeyWVFVPNYBSIUMAD-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.28
Rot. Bonds5

About N-ethyl-N-(2,2,2-trifluoroethyl)pent-4-yn-1-amine

N-ethyl-N-(2,2,2-trifluoroethyl)pent-4-yn-1-amine (PubChem CID 115873084) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is N-ethyl-N-(2,2,2-trifluoroethyl)pent-4-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(2,2,2-trifluoroethyl)pent-4-yn-1-amine
PubChem CID115873084
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC NameN-ethyl-N-(2,2,2-trifluoroethyl)pent-4-yn-1-amine
SMILESC#CCCCN(CC)CC(F)(F)F
InChIInChI=1S/C9H14F3N/c1-3-5-6-7-13(4-2)8-9(10,11)12/h1H,4-8H2,2H3
InChIKeyWVFVPNYBSIUMAD-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
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'-but-3-ynyl-N,N,N'-triethylpropane-1,3-diamine
CID 102996136
N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane
CID 170732267
N-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine
CID 115873081
N'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
CID 55074202
N-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
CID 62425905
N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426982
2-[pent-4-ynyl(propyl)amino]ethanol
CID 115872793
N'-ethyl-N-hexyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089724
N',N'-diethyl-N-hex-5-ynylethane-1,2-diamine
CID 106211426
2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 106809373
N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554982
2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)pentanoic acid
CID 106805906

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)pent-4-yn-1-amine?
The IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)pent-4-yn-1-amine (CID 115873084) is N-ethyl-N-(2,2,2-trifluoroethyl)pent-4-yn-1-amine.
What is the SMILES notation for N-ethyl-N-(2,2,2-trifluoroethyl)pent-4-yn-1-amine?
The canonical SMILES for N-ethyl-N-(2,2,2-trifluoroethyl)pent-4-yn-1-amine is C#CCCCN(CC)CC(F)(F)F.
What is the InChIKey of N-ethyl-N-(2,2,2-trifluoroethyl)pent-4-yn-1-amine?
The InChIKey is WVFVPNYBSIUMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c1-3-5-6-7-13(4-2)8-9(10,11)12/h1H,4-8H2,2H3.
What are the key properties of N-ethyl-N-(2,2,2-trifluoroethyl)pent-4-yn-1-amine?
N-ethyl-N-(2,2,2-trifluoroethyl)pent-4-yn-1-amine has a molecular weight of 193.21 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2,2,2-trifluoroethyl)pent-4-yn-1-amine is sourced from PubChem (CID 115873084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).