5-butyl-2-[difluoro-[(3,4,5,6-tetrafluoro-7-propoxy-9H-fluoren-2-yl)oxy]methyl]-3,4-dihydro-2H-pyran

C26H26F6O3 — CID 118359136

IUPAC5-butyl-2-[difluoro-[(3,4,5,6-tetrafluoro-7-propoxy-9H-fluoren-2-yl)oxy]methyl]-3,4-dihydro-2H-pyran
SMILESCCCCC1=COC(C(F)(F)Oc2cc3c(c(F)c2F)-c2c(cc(OCCC)c(F)c2F)C3)CC1
InChIInChI=1S/C26H26F6O3/c1-3-5-6-14-7-8-19(34-13-14)26(31,32)35-18-12-16-10-15-11-17(33-9-4-2)22(27)24(29)20(15)21(16)25(30)23(18)28/h11-13,19H,3-10H2,1-2H3
InChIKeyHTOYUSZJRJLYLV-UHFFFAOYSA-N
MW500.48 g/mol
LogP7.83
Rot. Bonds9

About 5-butyl-2-[difluoro-[(3,4,5,6-tetrafluoro-7-propoxy-9H-fluoren-2-yl)oxy]methyl]-3,4-dihydro-2H-pyran

5-butyl-2-[difluoro-[(3,4,5,6-tetrafluoro-7-propoxy-9H-fluoren-2-yl)oxy]methyl]-3,4-dihydro-2H-pyran (PubChem CID 118359136) has the molecular formula C26H26F6O3 and a molecular weight of 500.48 g/mol. Its IUPAC name is 5-butyl-2-[difluoro-[(3,4,5,6-tetrafluoro-7-propoxy-9H-fluoren-2-yl)oxy]methyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-butyl-2-[difluoro-[(3,4,5,6-tetrafluoro-7-propoxy-9H-fluoren-2-yl)oxy]methyl]-3,4-dihydro-2H-pyran
PubChem CID118359136
Molecular FormulaC26H26F6O3
Molecular Weight500.48 g/mol
Exact Mass500.18
IUPAC Name5-butyl-2-[difluoro-[(3,4,5,6-tetrafluoro-7-propoxy-9H-fluoren-2-yl)oxy]methyl]-3,4-dihydro-2H-pyran
SMILESCCCCC1=COC(C(F)(F)Oc2cc3c(c(F)c2F)-c2c(cc(OCCC)c(F)c2F)C3)CC1
InChIInChI=1S/C26H26F6O3/c1-3-5-6-14-7-8-19(34-13-14)26(31,32)35-18-12-16-10-15-11-17(33-9-4-2)22(27)24(29)20(15)21(16)25(30)23(18)28/h11-13,19H,3-10H2,1-2H3
InChIKeyHTOYUSZJRJLYLV-UHFFFAOYSA-N
XLogP7.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.48
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-butyl-2-[difluoro-[(3,4,5,6-tetrafluoro-7-propoxy-9H-fluoren-2-yl)oxy]methyl]-3,4-dihydro-2H-pyran with MolForge

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Related Compounds

2-butoxy-3,4,5-trifluoro-6-propyl-9H-fluorene
CID 69416127
3-(7-butoxy-3,4,5,6-tetrafluoro-9,10-dihydrophenanthren-2-yl)-6-pentyl-3,4-dihydro-2H-pyran
CID 118583554
6-(7-ethoxy-3,4,5,6-tetrafluoro-9H-fluoren-2-yl)-3-propyl-3,4-dihydro-2H-pyran
CID 118583502
4,9,14,19,24,29,31,33,35,37,39,41-dodecaoctoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3(42),4,6(41),8(40),9,11(39),13(38),14,16(37),18,20,23,25,28,31,33,35-octadecaene
CID 56647445
5-bromo-7,8-dipropoxy-1,2,4,5-tetrahydro-3-benzoxepine
CID 62736375
5-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]butyl]-2-pentyl-3,4-dihydro-2H-pyran
CID 118358995
2-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-5-propyl-3,4-dihydro-2H-pyran
CID 118359036
7-butyl-3,4-difluoro-2-propyl-9H-fluorene;1-(2,3-difluoro-4-methylphenyl)-2,3-difluoro-4-(4-propylcyclohexyl)benzene;1-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-4-ethyl-2,3-difluorobenzene;2,3-difluoro-1-propyl-4-(4-propylphenyl)benzene;1-ethoxy-4-(4-propylphenyl)benzene;1-(4-ethylcyclohexyl)-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene;3,4,5,6-tetrafluoro-2-methyl-7-propoxy-9H-fluorene
CID 161171629
5-pentyl-2-[2-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]pyrimidine
CID 154524312
1-[difluoro-(4-pentylcyclohexyl)methoxy]-4-[7-[1-[7-[4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenoxy]heptoxy]-2,2,2-trifluoroethoxy]heptoxy]-2,3-difluorobenzene
CID 122542722
1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran
CID 140909283
7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
CID 102471063

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[difluoro-[(3,4,5,6-tetrafluoro-7-propoxy-9H-fluoren-2-yl)oxy]methyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 5-butyl-2-[difluoro-[(3,4,5,6-tetrafluoro-7-propoxy-9H-fluoren-2-yl)oxy]methyl]-3,4-dihydro-2H-pyran (CID 118359136) is 5-butyl-2-[difluoro-[(3,4,5,6-tetrafluoro-7-propoxy-9H-fluoren-2-yl)oxy]methyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-butyl-2-[difluoro-[(3,4,5,6-tetrafluoro-7-propoxy-9H-fluoren-2-yl)oxy]methyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-butyl-2-[difluoro-[(3,4,5,6-tetrafluoro-7-propoxy-9H-fluoren-2-yl)oxy]methyl]-3,4-dihydro-2H-pyran is CCCCC1=COC(C(F)(F)Oc2cc3c(c(F)c2F)-c2c(cc(OCCC)c(F)c2F)C3)CC1.
What is the InChIKey of 5-butyl-2-[difluoro-[(3,4,5,6-tetrafluoro-7-propoxy-9H-fluoren-2-yl)oxy]methyl]-3,4-dihydro-2H-pyran?
The InChIKey is HTOYUSZJRJLYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F6O3/c1-3-5-6-14-7-8-19(34-13-14)26(31,32)35-18-12-16-10-15-11-17(33-9-4-2)22(27)24(29)20(15)21(16)25(30)23(18)28/h11-13,19H,3-10H2,1-2H3.
What are the key properties of 5-butyl-2-[difluoro-[(3,4,5,6-tetrafluoro-7-propoxy-9H-fluoren-2-yl)oxy]methyl]-3,4-dihydro-2H-pyran?
5-butyl-2-[difluoro-[(3,4,5,6-tetrafluoro-7-propoxy-9H-fluoren-2-yl)oxy]methyl]-3,4-dihydro-2H-pyran has a molecular weight of 500.48 g/mol, XLogP of 7.83, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[difluoro-[(3,4,5,6-tetrafluoro-7-propoxy-9H-fluoren-2-yl)oxy]methyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118359136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).