3,4,5-trifluoro-6-[(2-fluoro-4-propylphenyl)methoxy]-2-propyl-9H-xanthene

C26H24F4O2 — CID 118891069

IUPAC3,4,5-trifluoro-6-[(2-fluoro-4-propylphenyl)methoxy]-2-propyl-9H-xanthene
SMILESCCCc1ccc(COc2ccc3c(c2F)Oc2c(cc(CCC)c(F)c2F)C3)c(F)c1
InChIInChI=1S/C26H24F4O2/c1-3-5-15-7-8-18(20(27)11-15)14-31-21-10-9-17-13-19-12-16(6-4-2)22(28)24(30)26(19)32-25(17)23(21)29/h7-12H,3-6,13-14H2,1-2H3
InChIKeyZIWOGKZDVYGPKC-UHFFFAOYSA-N
MW444.47 g/mol
LogP7.42
Rot. Bonds7

About 3,4,5-trifluoro-6-[(2-fluoro-4-propylphenyl)methoxy]-2-propyl-9H-xanthene

3,4,5-trifluoro-6-[(2-fluoro-4-propylphenyl)methoxy]-2-propyl-9H-xanthene (PubChem CID 118891069) has the molecular formula C26H24F4O2 and a molecular weight of 444.47 g/mol. Its IUPAC name is 3,4,5-trifluoro-6-[(2-fluoro-4-propylphenyl)methoxy]-2-propyl-9H-xanthene.

Molecular Properties

Compound Name3,4,5-trifluoro-6-[(2-fluoro-4-propylphenyl)methoxy]-2-propyl-9H-xanthene
PubChem CID118891069
Molecular FormulaC26H24F4O2
Molecular Weight444.47 g/mol
Exact Mass444.17
IUPAC Name3,4,5-trifluoro-6-[(2-fluoro-4-propylphenyl)methoxy]-2-propyl-9H-xanthene
SMILESCCCc1ccc(COc2ccc3c(c2F)Oc2c(cc(CCC)c(F)c2F)C3)c(F)c1
InChIInChI=1S/C26H24F4O2/c1-3-5-15-7-8-18(20(27)11-15)14-31-21-10-9-17-13-19-12-16(6-4-2)22(28)24(30)26(19)32-25(17)23(21)29/h7-12H,3-6,13-14H2,1-2H3
InChIKeyZIWOGKZDVYGPKC-UHFFFAOYSA-N
XLogP7.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.47
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4,5-trifluoro-6-[(2-fluoro-4-propylphenyl)methoxy]-2-propyl-9H-xanthene with MolForge

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Related Compounds

2-[(4-but-3-enyl-2-fluorophenyl)methoxy]-3,4,5-trifluoro-6-propyl-9H-xanthene
CID 118891252
3,4,5-trifluoro-6-propyl-2-[(4-propylphenyl)methoxy]-9H-xanthene
CID 118891088
6-[2-(2,3-difluoro-4-propylphenyl)ethyl]-3,4,5-trifluoro-2-propyl-9H-xanthene
CID 118891250
6-[difluoro-(4-propylcyclohexyl)methoxy]-3,4,5-trifluoro-2-propyl-9H-xanthene
CID 118891189
(4-propylphenyl) 6-ethoxy-3,4,5-trifluoro-9H-xanthene-2-carboxylate
CID 118891407
2-(2,3-difluoro-4-propylphenyl)-6-ethyl-3,4,5-trifluoro-9H-xanthene
CID 118891234
2-[(4-ethoxy-3-fluorophenoxy)-difluoromethyl]-3,4,5-trifluoro-6-propyl-9H-xanthene
CID 118891090
3,4-difluoro-2,6-dipropyl-9H-fluorene
CID 69416130
fluoromethane;1-fluoro-4-propylbenzene;3,4,5-trifluoro-2-(4-methoxyphenyl)-6-propyl-9H-xanthene
CID 144734058
(4,5,6-trifluoro-7-propyl-9H-xanthen-3-yl) 4-(6-propyloxan-3-yl)cyclohexane-1-carboxylate
CID 118891427
3,4,5-trifluoro-2-propyl-6-[2-(5-propyloxan-2-yl)ethyl]-9H-xanthene
CID 118891441
6-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-3,4,5-trifluoro-2-(6-propyloxan-3-yl)-9H-xanthene;ethane
CID 144733772

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-6-[(2-fluoro-4-propylphenyl)methoxy]-2-propyl-9H-xanthene?
The IUPAC name of 3,4,5-trifluoro-6-[(2-fluoro-4-propylphenyl)methoxy]-2-propyl-9H-xanthene (CID 118891069) is 3,4,5-trifluoro-6-[(2-fluoro-4-propylphenyl)methoxy]-2-propyl-9H-xanthene.
What is the SMILES notation for 3,4,5-trifluoro-6-[(2-fluoro-4-propylphenyl)methoxy]-2-propyl-9H-xanthene?
The canonical SMILES for 3,4,5-trifluoro-6-[(2-fluoro-4-propylphenyl)methoxy]-2-propyl-9H-xanthene is CCCc1ccc(COc2ccc3c(c2F)Oc2c(cc(CCC)c(F)c2F)C3)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-6-[(2-fluoro-4-propylphenyl)methoxy]-2-propyl-9H-xanthene?
The InChIKey is ZIWOGKZDVYGPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4O2/c1-3-5-15-7-8-18(20(27)11-15)14-31-21-10-9-17-13-19-12-16(6-4-2)22(28)24(30)26(19)32-25(17)23(21)29/h7-12H,3-6,13-14H2,1-2H3.
What are the key properties of 3,4,5-trifluoro-6-[(2-fluoro-4-propylphenyl)methoxy]-2-propyl-9H-xanthene?
3,4,5-trifluoro-6-[(2-fluoro-4-propylphenyl)methoxy]-2-propyl-9H-xanthene has a molecular weight of 444.47 g/mol, XLogP of 7.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-6-[(2-fluoro-4-propylphenyl)methoxy]-2-propyl-9H-xanthene is sourced from PubChem (CID 118891069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).