N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine

C12H19F4NO — CID 103475962

IUPACN-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine
SMILESCC#CCC(COCC(F)(F)C(F)F)NCCC
InChIInChI=1S/C12H19F4NO/c1-3-5-6-10(17-7-4-2)8-18-9-12(15,16)11(13)14/h10-11,17H,4,6-9H2,1-2H3
InChIKeyJDDPTXJMCVRUCL-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.68
Rot. Bonds9

About N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine

N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine (PubChem CID 103475962) has the molecular formula C12H19F4NO and a molecular weight of 269.28 g/mol. Its IUPAC name is N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine.

Molecular Properties

Compound NameN-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine
PubChem CID103475962
Molecular FormulaC12H19F4NO
Molecular Weight269.28 g/mol
Exact Mass269.14
IUPAC NameN-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine
SMILESCC#CCC(COCC(F)(F)C(F)F)NCCC
InChIInChI=1S/C12H19F4NO/c1-3-5-6-10(17-7-4-2)8-18-9-12(15,16)11(13)14/h10-11,17H,4,6-9H2,1-2H3
InChIKeyJDDPTXJMCVRUCL-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-ylhydrazine
CID 103477647
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine
CID 103475943
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)nonan-2-amine
CID 103475868
1-(2,2-difluoroethoxy)-N-propylhept-5-yn-3-amine
CID 103149853
3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
CID 103475913
1,1,1-trifluoro-N-propyloct-6-yn-4-amine
CID 79964063
1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475919
N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
CID 103475741
N-[1-cyclohexyl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
CID 104748998
1,1,1-trifluoro-N-propylhex-4-yn-2-amine
CID 115819818
N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 103214890
1-(2,2,3,3-tetrafluoropropoxy)pent-4-yn-2-ylhydrazine
CID 103477640

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine?
The IUPAC name of N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine (CID 103475962) is N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine.
What is the SMILES notation for N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine?
The canonical SMILES for N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine is CC#CCC(COCC(F)(F)C(F)F)NCCC.
What is the InChIKey of N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine?
The InChIKey is JDDPTXJMCVRUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F4NO/c1-3-5-6-10(17-7-4-2)8-18-9-12(15,16)11(13)14/h10-11,17H,4,6-9H2,1-2H3.
What are the key properties of N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine?
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine has a molecular weight of 269.28 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine is sourced from PubChem (CID 103475962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).