N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

C16H19F4NO4 — CID 72931030

IUPACN-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCOc1cccc2c1OCC(CNC(=O)COCC(F)(F)C(F)F)C2
InChIInChI=1S/C16H19F4NO4/c1-23-12-4-2-3-11-5-10(7-25-14(11)12)6-21-13(22)8-24-9-16(19,20)15(17)18/h2-4,10,15H,5-9H2,1H3,(H,21,22)
InChIKeyIDANNWOIBGJPGJ-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.28
Rot. Bonds8

About N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (PubChem CID 72931030) has the molecular formula C16H19F4NO4 and a molecular weight of 365.32 g/mol. Its IUPAC name is N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
PubChem CID72931030
Molecular FormulaC16H19F4NO4
Molecular Weight365.32 g/mol
Exact Mass365.13
IUPAC NameN-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCOc1cccc2c1OCC(CNC(=O)COCC(F)(F)C(F)F)C2
InChIInChI=1S/C16H19F4NO4/c1-23-12-4-2-3-11-5-10(7-25-14(11)12)6-21-13(22)8-24-9-16(19,20)15(17)18/h2-4,10,15H,5-9H2,1H3,(H,21,22)
InChIKeyIDANNWOIBGJPGJ-UHFFFAOYSA-N
XLogP2.28
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The IUPAC name of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (CID 72931030) is N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is COc1cccc2c1OCC(CNC(=O)COCC(F)(F)C(F)F)C2.
What is the InChIKey of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The InChIKey is IDANNWOIBGJPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F4NO4/c1-23-12-4-2-3-11-5-10(7-25-14(11)12)6-21-13(22)8-24-9-16(19,20)15(17)18/h2-4,10,15H,5-9H2,1H3,(H,21,22).
What are the key properties of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide has a molecular weight of 365.32 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 72931030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).