3-propyl-6-(1,8,9,9-tetrafluoro-7-pentylfluoren-2-yl)-3,4-dihydro-2H-pyran

C26H28F4O — CID 118583503

IUPAC3-propyl-6-(1,8,9,9-tetrafluoro-7-pentylfluoren-2-yl)-3,4-dihydro-2H-pyran
SMILESCCCCCc1ccc2c(c1F)C(F)(F)c1c-2ccc(C2=CCC(CCC)CO2)c1F
InChIInChI=1S/C26H28F4O/c1-3-5-6-8-17-10-11-18-19-12-13-20(21-14-9-16(7-4-2)15-31-21)25(28)23(19)26(29,30)22(18)24(17)27/h10-14,16H,3-9,15H2,1-2H3
InChIKeyHNRAIEIUAGCQOD-UHFFFAOYSA-N
MW432.50 g/mol
LogP8.00
Rot. Bonds7

About 3-propyl-6-(1,8,9,9-tetrafluoro-7-pentylfluoren-2-yl)-3,4-dihydro-2H-pyran

3-propyl-6-(1,8,9,9-tetrafluoro-7-pentylfluoren-2-yl)-3,4-dihydro-2H-pyran (PubChem CID 118583503) has the molecular formula C26H28F4O and a molecular weight of 432.50 g/mol. Its IUPAC name is 3-propyl-6-(1,8,9,9-tetrafluoro-7-pentylfluoren-2-yl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3-propyl-6-(1,8,9,9-tetrafluoro-7-pentylfluoren-2-yl)-3,4-dihydro-2H-pyran
PubChem CID118583503
Molecular FormulaC26H28F4O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name3-propyl-6-(1,8,9,9-tetrafluoro-7-pentylfluoren-2-yl)-3,4-dihydro-2H-pyran
SMILESCCCCCc1ccc2c(c1F)C(F)(F)c1c-2ccc(C2=CCC(CCC)CO2)c1F
InChIInChI=1S/C26H28F4O/c1-3-5-6-8-17-10-11-18-19-12-13-20(21-14-9-16(7-4-2)15-31-21)25(28)23(19)26(29,30)22(18)24(17)27/h10-14,16H,3-9,15H2,1-2H3
InChIKeyHNRAIEIUAGCQOD-UHFFFAOYSA-N
XLogP8.00
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 ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-6-(1,8,9,9-tetrafluoro-7-pentylfluoren-2-yl)-3,4-dihydro-2H-pyran?
The IUPAC name of 3-propyl-6-(1,8,9,9-tetrafluoro-7-pentylfluoren-2-yl)-3,4-dihydro-2H-pyran (CID 118583503) is 3-propyl-6-(1,8,9,9-tetrafluoro-7-pentylfluoren-2-yl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3-propyl-6-(1,8,9,9-tetrafluoro-7-pentylfluoren-2-yl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 3-propyl-6-(1,8,9,9-tetrafluoro-7-pentylfluoren-2-yl)-3,4-dihydro-2H-pyran is CCCCCc1ccc2c(c1F)C(F)(F)c1c-2ccc(C2=CCC(CCC)CO2)c1F.
What is the InChIKey of 3-propyl-6-(1,8,9,9-tetrafluoro-7-pentylfluoren-2-yl)-3,4-dihydro-2H-pyran?
The InChIKey is HNRAIEIUAGCQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F4O/c1-3-5-6-8-17-10-11-18-19-12-13-20(21-14-9-16(7-4-2)15-31-21)25(28)23(19)26(29,30)22(18)24(17)27/h10-14,16H,3-9,15H2,1-2H3.
What are the key properties of 3-propyl-6-(1,8,9,9-tetrafluoro-7-pentylfluoren-2-yl)-3,4-dihydro-2H-pyran?
3-propyl-6-(1,8,9,9-tetrafluoro-7-pentylfluoren-2-yl)-3,4-dihydro-2H-pyran has a molecular weight of 432.50 g/mol, XLogP of 8.00, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-6-(1,8,9,9-tetrafluoro-7-pentylfluoren-2-yl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118583503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).