3-methyl-6-(3,4,5,6-tetrafluoro-7-propyl-9,10-dihydrophenanthren-2-yl)-3,4-dihydro-2H-pyran

C23H22F4O — CID 118586733

IUPAC3-methyl-6-(3,4,5,6-tetrafluoro-7-propyl-9,10-dihydrophenanthren-2-yl)-3,4-dihydro-2H-pyran
SMILESCCCc1cc2c(c(F)c1F)-c1c(cc(C3=CCC(C)CO3)c(F)c1F)CC2
InChIInChI=1S/C23H22F4O/c1-3-4-15-9-13-6-7-14-10-16(17-8-5-12(2)11-28-17)21(25)23(27)19(14)18(13)22(26)20(15)24/h8-10,12H,3-7,11H2,1-2H3
InChIKeyFVGLTNXVGWDNJJ-UHFFFAOYSA-N
MW390.42 g/mol
LogP6.36
Rot. Bonds3

About 3-methyl-6-(3,4,5,6-tetrafluoro-7-propyl-9,10-dihydrophenanthren-2-yl)-3,4-dihydro-2H-pyran

3-methyl-6-(3,4,5,6-tetrafluoro-7-propyl-9,10-dihydrophenanthren-2-yl)-3,4-dihydro-2H-pyran (PubChem CID 118586733) has the molecular formula C23H22F4O and a molecular weight of 390.42 g/mol. Its IUPAC name is 3-methyl-6-(3,4,5,6-tetrafluoro-7-propyl-9,10-dihydrophenanthren-2-yl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3-methyl-6-(3,4,5,6-tetrafluoro-7-propyl-9,10-dihydrophenanthren-2-yl)-3,4-dihydro-2H-pyran
PubChem CID118586733
Molecular FormulaC23H22F4O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name3-methyl-6-(3,4,5,6-tetrafluoro-7-propyl-9,10-dihydrophenanthren-2-yl)-3,4-dihydro-2H-pyran
SMILESCCCc1cc2c(c(F)c1F)-c1c(cc(C3=CCC(C)CO3)c(F)c1F)CC2
InChIInChI=1S/C23H22F4O/c1-3-4-15-9-13-6-7-14-10-16(17-8-5-12(2)11-28-17)21(25)23(27)19(14)18(13)22(26)20(15)24/h8-10,12H,3-7,11H2,1-2H3
InChIKeyFVGLTNXVGWDNJJ-UHFFFAOYSA-N
XLogP6.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.42
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(3,4,5,6-tetrafluoro-7-propyl-9,10-dihydrophenanthren-2-yl)-3,4-dihydro-2H-pyran?
The IUPAC name of 3-methyl-6-(3,4,5,6-tetrafluoro-7-propyl-9,10-dihydrophenanthren-2-yl)-3,4-dihydro-2H-pyran (CID 118586733) is 3-methyl-6-(3,4,5,6-tetrafluoro-7-propyl-9,10-dihydrophenanthren-2-yl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3-methyl-6-(3,4,5,6-tetrafluoro-7-propyl-9,10-dihydrophenanthren-2-yl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 3-methyl-6-(3,4,5,6-tetrafluoro-7-propyl-9,10-dihydrophenanthren-2-yl)-3,4-dihydro-2H-pyran is CCCc1cc2c(c(F)c1F)-c1c(cc(C3=CCC(C)CO3)c(F)c1F)CC2.
What is the InChIKey of 3-methyl-6-(3,4,5,6-tetrafluoro-7-propyl-9,10-dihydrophenanthren-2-yl)-3,4-dihydro-2H-pyran?
The InChIKey is FVGLTNXVGWDNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4O/c1-3-4-15-9-13-6-7-14-10-16(17-8-5-12(2)11-28-17)21(25)23(27)19(14)18(13)22(26)20(15)24/h8-10,12H,3-7,11H2,1-2H3.
What are the key properties of 3-methyl-6-(3,4,5,6-tetrafluoro-7-propyl-9,10-dihydrophenanthren-2-yl)-3,4-dihydro-2H-pyran?
3-methyl-6-(3,4,5,6-tetrafluoro-7-propyl-9,10-dihydrophenanthren-2-yl)-3,4-dihydro-2H-pyran has a molecular weight of 390.42 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(3,4,5,6-tetrafluoro-7-propyl-9,10-dihydrophenanthren-2-yl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118586733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).