N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-amine

C12H19F4NO — CID 103475829

IUPACN-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-amine
SMILESC#CCCCC(COCC(F)(F)C(F)F)NCC
InChIInChI=1S/C12H19F4NO/c1-3-5-6-7-10(17-4-2)8-18-9-12(15,16)11(13)14/h1,10-11,17H,4-9H2,2H3
InChIKeyPVGYYOTWTQMKMJ-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.68
Rot. Bonds10

About N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-amine

N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-amine (PubChem CID 103475829) has the molecular formula C12H19F4NO and a molecular weight of 269.28 g/mol. Its IUPAC name is N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-amine
PubChem CID103475829
Molecular FormulaC12H19F4NO
Molecular Weight269.28 g/mol
Exact Mass269.14
IUPAC NameN-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-amine
SMILESC#CCCCC(COCC(F)(F)C(F)F)NCC
InChIInChI=1S/C12H19F4NO/c1-3-5-6-7-10(17-4-2)8-18-9-12(15,16)11(13)14/h1,10-11,17H,4-9H2,2H3
InChIKeyPVGYYOTWTQMKMJ-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 64503288
N-[2-(4,4,4-trifluorobutoxy)ethyl]heptan-2-amine
CID 82792564
2-(2,2-Difluoropropoxymethyl)piperidine
CID 84664726
2-(3,3-Difluorobutoxymethyl)piperidine
CID 84675199
N-[2-(2,2-difluoroethoxy)ethyl]-6,6,6-trifluorohexan-2-amine
CID 103082676
N-methyl-1-(2,2,2-trifluoroethoxy)oct-6-yn-3-amine
CID 103148257
N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-3-amine
CID 103148348
N-methyl-1-(2,2,2-trifluoroethoxy)oct-7-yn-3-amine
CID 103148382
N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-3-amine
CID 103148567
N-ethyl-1-(2,2,2-trifluoroethoxy)oct-7-yn-3-amine
CID 103148598
N-propyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-3-amine
CID 103148729
1-(2,2-difluoroethoxy)-N-methyloct-6-yn-3-amine
CID 103149177

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-amine?
The IUPAC name of N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-amine (CID 103475829) is N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-amine.
What is the SMILES notation for N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-amine?
The canonical SMILES for N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-amine is C#CCCCC(COCC(F)(F)C(F)F)NCC.
What is the InChIKey of N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-amine?
The InChIKey is PVGYYOTWTQMKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F4NO/c1-3-5-6-7-10(17-4-2)8-18-9-12(15,16)11(13)14/h1,10-11,17H,4-9H2,2H3.
What are the key properties of N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-amine?
N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-amine has a molecular weight of 269.28 g/mol, XLogP of 2.68, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-amine is sourced from PubChem (CID 103475829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).