1-(2-fluorocyclopenten-1-yl)-2-methylpropan-1-one;2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide;molecular hydrogen

C19H31F2NO2 — CID 162375498

IUPAC1-(2-fluorocyclopenten-1-yl)-2-methylpropan-1-one;2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide;molecular hydrogen
SMILESCC(C)C(=O)C1=C(F)CCC1.CC(C)NC(=O)C1=C(F)CCCC1.[H][H]
InChIInChI=1S/C10H16FNO.C9H13FO.H2/c1-7(2)12-10(13)8-5-3-4-6-9(8)11;1-6(2)9(11)7-4-3-5-8(7)10;/h7H,3-6H2,1-2H3,(H,12,13);6H,3-5H2,1-2H3;1H
InChIKeyQWRNJNGKPHJXFX-UHFFFAOYSA-N
MW343.46 g/mol
LogP5.17
Rot. Bonds4

About 1-(2-fluorocyclopenten-1-yl)-2-methylpropan-1-one;2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide;molecular hydrogen

1-(2-fluorocyclopenten-1-yl)-2-methylpropan-1-one;2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide;molecular hydrogen (PubChem CID 162375498) has the molecular formula C19H31F2NO2 and a molecular weight of 343.46 g/mol. Its IUPAC name is 1-(2-fluorocyclopenten-1-yl)-2-methylpropan-1-one;2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(2-fluorocyclopenten-1-yl)-2-methylpropan-1-one;2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide;molecular hydrogen
PubChem CID162375498
Molecular FormulaC19H31F2NO2
Molecular Weight343.46 g/mol
Exact Mass343.23
IUPAC Name1-(2-fluorocyclopenten-1-yl)-2-methylpropan-1-one;2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide;molecular hydrogen
SMILESCC(C)C(=O)C1=C(F)CCC1.CC(C)NC(=O)C1=C(F)CCCC1.[H][H]
InChIInChI=1S/C10H16FNO.C9H13FO.H2/c1-7(2)12-10(13)8-5-3-4-6-9(8)11;1-6(2)9(11)7-4-3-5-8(7)10;/h7H,3-6H2,1-2H3,(H,12,13);6H,3-5H2,1-2H3;1H
InChIKeyQWRNJNGKPHJXFX-UHFFFAOYSA-N
XLogP5.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorocyclopenten-1-yl)-2-methylpropan-1-one;2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-(2-fluorocyclopenten-1-yl)-2-methylpropan-1-one;2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide;molecular hydrogen (CID 162375498) is 1-(2-fluorocyclopenten-1-yl)-2-methylpropan-1-one;2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(2-fluorocyclopenten-1-yl)-2-methylpropan-1-one;2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(2-fluorocyclopenten-1-yl)-2-methylpropan-1-one;2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide;molecular hydrogen is CC(C)C(=O)C1=C(F)CCC1.CC(C)NC(=O)C1=C(F)CCCC1.[H][H].
What is the InChIKey of 1-(2-fluorocyclopenten-1-yl)-2-methylpropan-1-one;2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide;molecular hydrogen?
The InChIKey is QWRNJNGKPHJXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO.C9H13FO.H2/c1-7(2)12-10(13)8-5-3-4-6-9(8)11;1-6(2)9(11)7-4-3-5-8(7)10;/h7H,3-6H2,1-2H3,(H,12,13);6H,3-5H2,1-2H3;1H.
What are the key properties of 1-(2-fluorocyclopenten-1-yl)-2-methylpropan-1-one;2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide;molecular hydrogen?
1-(2-fluorocyclopenten-1-yl)-2-methylpropan-1-one;2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide;molecular hydrogen has a molecular weight of 343.46 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorocyclopenten-1-yl)-2-methylpropan-1-one;2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 162375498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).