N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]acetamide

C14H9F7N2O — CID 134850035

IUPACN-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)c2cccnc12
InChIInChI=1S/C14H9F7N2O/c1-7(24)23-10-5-4-9(8-3-2-6-22-11(8)10)12(15,13(16,17)18)14(19,20)21/h2-6H,1H3,(H,23,24)
InChIKeySPQHWHNRXLHKAZ-UHFFFAOYSA-N
MW354.23 g/mol
LogP4.48
Rot. Bonds2

About N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]acetamide

N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]acetamide (PubChem CID 134850035) has the molecular formula C14H9F7N2O and a molecular weight of 354.23 g/mol. Its IUPAC name is N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]acetamide
PubChem CID134850035
Molecular FormulaC14H9F7N2O
Molecular Weight354.23 g/mol
Exact Mass354.06
IUPAC NameN-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)c2cccnc12
InChIInChI=1S/C14H9F7N2O/c1-7(24)23-10-5-4-9(8-3-2-6-22-11(8)10)12(15,13(16,17)18)14(19,20)21/h2-6H,1H3,(H,23,24)
InChIKeySPQHWHNRXLHKAZ-UHFFFAOYSA-N
XLogP4.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]acetamide?
The IUPAC name of N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]acetamide (CID 134850035) is N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]acetamide.
What is the SMILES notation for N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]acetamide?
The canonical SMILES for N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]acetamide is CC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)c2cccnc12.
What is the InChIKey of N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]acetamide?
The InChIKey is SPQHWHNRXLHKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F7N2O/c1-7(24)23-10-5-4-9(8-3-2-6-22-11(8)10)12(15,13(16,17)18)14(19,20)21/h2-6H,1H3,(H,23,24).
What are the key properties of N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]acetamide?
N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]acetamide has a molecular weight of 354.23 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]acetamide is sourced from PubChem (CID 134850035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).