5-pentyl-2-(3,4,5,6-tetrafluoro-7-propyl-9H-fluoren-2-yl)-3,4-dihydro-2H-pyran

C26H28F4O — CID 118359160

IUPAC5-pentyl-2-(3,4,5,6-tetrafluoro-7-propyl-9H-fluoren-2-yl)-3,4-dihydro-2H-pyran
SMILESCCCCCC1=COC(c2cc3c(c(F)c2F)-c2c(cc(CCC)c(F)c2F)C3)CC1
InChIInChI=1S/C26H28F4O/c1-3-5-6-8-15-9-10-20(31-14-15)19-13-18-12-17-11-16(7-4-2)23(27)25(29)21(17)22(18)26(30)24(19)28/h11,13-14,20H,3-10,12H2,1-2H3
InChIKeyDXTFFAGJEIJSTQ-UHFFFAOYSA-N
MW432.50 g/mol
LogP8.08
Rot. Bonds7

About 5-pentyl-2-(3,4,5,6-tetrafluoro-7-propyl-9H-fluoren-2-yl)-3,4-dihydro-2H-pyran

5-pentyl-2-(3,4,5,6-tetrafluoro-7-propyl-9H-fluoren-2-yl)-3,4-dihydro-2H-pyran (PubChem CID 118359160) has the molecular formula C26H28F4O and a molecular weight of 432.50 g/mol. Its IUPAC name is 5-pentyl-2-(3,4,5,6-tetrafluoro-7-propyl-9H-fluoren-2-yl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-pentyl-2-(3,4,5,6-tetrafluoro-7-propyl-9H-fluoren-2-yl)-3,4-dihydro-2H-pyran
PubChem CID118359160
Molecular FormulaC26H28F4O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name5-pentyl-2-(3,4,5,6-tetrafluoro-7-propyl-9H-fluoren-2-yl)-3,4-dihydro-2H-pyran
SMILESCCCCCC1=COC(c2cc3c(c(F)c2F)-c2c(cc(CCC)c(F)c2F)C3)CC1
InChIInChI=1S/C26H28F4O/c1-3-5-6-8-15-9-10-20(31-14-15)19-13-18-12-17-11-16(7-4-2)23(27)25(29)21(17)22(18)26(30)24(19)28/h11,13-14,20H,3-10,12H2,1-2H3
InChIKeyDXTFFAGJEIJSTQ-UHFFFAOYSA-N
XLogP8.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-pentyl-2-(3,4,5,6-tetrafluoro-7-propyl-9H-fluoren-2-yl)-3,4-dihydro-2H-pyran with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-pentyl-2-(3,4,5,6-tetrafluoro-7-propyl-9H-fluoren-2-yl)-3,4-dihydro-2H-pyran?
The IUPAC name of 5-pentyl-2-(3,4,5,6-tetrafluoro-7-propyl-9H-fluoren-2-yl)-3,4-dihydro-2H-pyran (CID 118359160) is 5-pentyl-2-(3,4,5,6-tetrafluoro-7-propyl-9H-fluoren-2-yl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-pentyl-2-(3,4,5,6-tetrafluoro-7-propyl-9H-fluoren-2-yl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-pentyl-2-(3,4,5,6-tetrafluoro-7-propyl-9H-fluoren-2-yl)-3,4-dihydro-2H-pyran is CCCCCC1=COC(c2cc3c(c(F)c2F)-c2c(cc(CCC)c(F)c2F)C3)CC1.
What is the InChIKey of 5-pentyl-2-(3,4,5,6-tetrafluoro-7-propyl-9H-fluoren-2-yl)-3,4-dihydro-2H-pyran?
The InChIKey is DXTFFAGJEIJSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F4O/c1-3-5-6-8-15-9-10-20(31-14-15)19-13-18-12-17-11-16(7-4-2)23(27)25(29)21(17)22(18)26(30)24(19)28/h11,13-14,20H,3-10,12H2,1-2H3.
What are the key properties of 5-pentyl-2-(3,4,5,6-tetrafluoro-7-propyl-9H-fluoren-2-yl)-3,4-dihydro-2H-pyran?
5-pentyl-2-(3,4,5,6-tetrafluoro-7-propyl-9H-fluoren-2-yl)-3,4-dihydro-2H-pyran has a molecular weight of 432.50 g/mol, XLogP of 8.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-2-(3,4,5,6-tetrafluoro-7-propyl-9H-fluoren-2-yl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118359160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).