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

C22H20F4O — CID 118359154

IUPAC5-propyl-2-(1,8,9,9-tetrafluoro-7-methylfluoren-2-yl)-3,4-dihydro-2H-pyran
SMILESCCCC1=COC(c2ccc3c(c2F)C(F)(F)c2c-3ccc(C)c2F)CC1
InChIInChI=1S/C22H20F4O/c1-3-4-13-6-10-17(27-11-13)16-9-8-15-14-7-5-12(2)20(23)18(14)22(25,26)19(15)21(16)24/h5,7-9,11,17H,3-4,6,10H2,1-2H3
InChIKeyLVEYQZMPICYVHA-UHFFFAOYSA-N
MW376.39 g/mol
LogP6.93
Rot. Bonds3

About 5-propyl-2-(1,8,9,9-tetrafluoro-7-methylfluoren-2-yl)-3,4-dihydro-2H-pyran

5-propyl-2-(1,8,9,9-tetrafluoro-7-methylfluoren-2-yl)-3,4-dihydro-2H-pyran (PubChem CID 118359154) has the molecular formula C22H20F4O and a molecular weight of 376.39 g/mol. Its IUPAC name is 5-propyl-2-(1,8,9,9-tetrafluoro-7-methylfluoren-2-yl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-propyl-2-(1,8,9,9-tetrafluoro-7-methylfluoren-2-yl)-3,4-dihydro-2H-pyran
PubChem CID118359154
Molecular FormulaC22H20F4O
Molecular Weight376.39 g/mol
Exact Mass376.15
IUPAC Name5-propyl-2-(1,8,9,9-tetrafluoro-7-methylfluoren-2-yl)-3,4-dihydro-2H-pyran
SMILESCCCC1=COC(c2ccc3c(c2F)C(F)(F)c2c-3ccc(C)c2F)CC1
InChIInChI=1S/C22H20F4O/c1-3-4-13-6-10-17(27-11-13)16-9-8-15-14-7-5-12(2)20(23)18(14)22(25,26)19(15)21(16)24/h5,7-9,11,17H,3-4,6,10H2,1-2H3
InChIKeyLVEYQZMPICYVHA-UHFFFAOYSA-N
XLogP6.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.39
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-(1,8,9,9-tetrafluoro-7-methylfluoren-2-yl)-3,4-dihydro-2H-pyran?
The IUPAC name of 5-propyl-2-(1,8,9,9-tetrafluoro-7-methylfluoren-2-yl)-3,4-dihydro-2H-pyran (CID 118359154) is 5-propyl-2-(1,8,9,9-tetrafluoro-7-methylfluoren-2-yl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-propyl-2-(1,8,9,9-tetrafluoro-7-methylfluoren-2-yl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-propyl-2-(1,8,9,9-tetrafluoro-7-methylfluoren-2-yl)-3,4-dihydro-2H-pyran is CCCC1=COC(c2ccc3c(c2F)C(F)(F)c2c-3ccc(C)c2F)CC1.
What is the InChIKey of 5-propyl-2-(1,8,9,9-tetrafluoro-7-methylfluoren-2-yl)-3,4-dihydro-2H-pyran?
The InChIKey is LVEYQZMPICYVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4O/c1-3-4-13-6-10-17(27-11-13)16-9-8-15-14-7-5-12(2)20(23)18(14)22(25,26)19(15)21(16)24/h5,7-9,11,17H,3-4,6,10H2,1-2H3.
What are the key properties of 5-propyl-2-(1,8,9,9-tetrafluoro-7-methylfluoren-2-yl)-3,4-dihydro-2H-pyran?
5-propyl-2-(1,8,9,9-tetrafluoro-7-methylfluoren-2-yl)-3,4-dihydro-2H-pyran has a molecular weight of 376.39 g/mol, XLogP of 6.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-(1,8,9,9-tetrafluoro-7-methylfluoren-2-yl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118359154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).