1-quinolin-7-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C14H14F4N2O — CID 103475056

IUPAC1-quinolin-7-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESNC(COCC(F)(F)C(F)F)c1ccc2cccnc2c1
InChIInChI=1S/C14H14F4N2O/c15-13(16)14(17,18)8-21-7-11(19)10-4-3-9-2-1-5-20-12(9)6-10/h1-6,11,13H,7-8,19H2
InChIKeyVBAVKHXIFWHZPB-UHFFFAOYSA-N
MW302.27 g/mol
LogP3.15
Rot. Bonds6

About 1-quinolin-7-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

1-quinolin-7-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103475056) has the molecular formula C14H14F4N2O and a molecular weight of 302.27 g/mol. Its IUPAC name is 1-quinolin-7-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-quinolin-7-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103475056
Molecular FormulaC14H14F4N2O
Molecular Weight302.27 g/mol
Exact Mass302.10
IUPAC Name1-quinolin-7-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESNC(COCC(F)(F)C(F)F)c1ccc2cccnc2c1
InChIInChI=1S/C14H14F4N2O/c15-13(16)14(17,18)8-21-7-11(19)10-4-3-9-2-1-5-20-12(9)6-10/h1-6,11,13H,7-8,19H2
InChIKeyVBAVKHXIFWHZPB-UHFFFAOYSA-N
XLogP3.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-quinolin-7-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-quinolin-7-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103475056) is 1-quinolin-7-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-quinolin-7-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-quinolin-7-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is NC(COCC(F)(F)C(F)F)c1ccc2cccnc2c1.
What is the InChIKey of 1-quinolin-7-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is VBAVKHXIFWHZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2O/c15-13(16)14(17,18)8-21-7-11(19)10-4-3-9-2-1-5-20-12(9)6-10/h1-6,11,13H,7-8,19H2.
What are the key properties of 1-quinolin-7-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-quinolin-7-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 302.27 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-7-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103475056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).