2-ethoxy-3,4,5-trifluoro-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-9H-xanthene

C26H29F3O2 — CID 118891426

IUPAC2-ethoxy-3,4,5-trifluoro-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-9H-xanthene
SMILESCCCC1CCC(/C=C/c2ccc3c(c2F)Oc2c(cc(OCC)c(F)c2F)C3)CC1
InChIInChI=1S/C26H29F3O2/c1-3-5-16-6-8-17(9-7-16)10-11-18-12-13-19-14-20-15-21(30-4-2)23(28)24(29)26(20)31-25(19)22(18)27/h10-13,15-17H,3-9,14H2,1-2H3/b11-10+
InChIKeyRNYISJGHEGQYDY-ZHACJKMWSA-N
MW430.51 g/mol
LogP7.82
Rot. Bonds6

About 2-ethoxy-3,4,5-trifluoro-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-9H-xanthene

2-ethoxy-3,4,5-trifluoro-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-9H-xanthene (PubChem CID 118891426) has the molecular formula C26H29F3O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-ethoxy-3,4,5-trifluoro-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-9H-xanthene.

Molecular Properties

Compound Name2-ethoxy-3,4,5-trifluoro-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-9H-xanthene
PubChem CID118891426
Molecular FormulaC26H29F3O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name2-ethoxy-3,4,5-trifluoro-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-9H-xanthene
SMILESCCCC1CCC(/C=C/c2ccc3c(c2F)Oc2c(cc(OCC)c(F)c2F)C3)CC1
InChIInChI=1S/C26H29F3O2/c1-3-5-16-6-8-17(9-7-16)10-11-18-12-13-19-14-20-15-21(30-4-2)23(28)24(29)26(20)31-25(19)22(18)27/h10-13,15-17H,3-9,14H2,1-2H3/b11-10+
InChIKeyRNYISJGHEGQYDY-ZHACJKMWSA-N
XLogP7.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-3,4,5-trifluoro-6-(5-propyl-1,3-dioxan-2-yl)-9H-xanthene
CID 118891138
6-ethoxy-3,4,5-trifluoro-2-[[4-[(E)-pent-3-enyl]cyclohexyl]methoxy]-9H-xanthene
CID 118891059
6-ethoxy-3,4,5-trifluoro-2-[6-[2-(4-propylcyclohexyl)ethyl]oxan-3-yl]-9H-xanthene
CID 118891203
6-ethoxy-3,4,5-trifluoro-2-(4-pentylcyclohexyl)-9H-xanthene
CID 118891126
(3,4,5-trifluoro-6-propyl-9H-xanthen-2-yl) 4-propylcyclohexane-1-carboxylate
CID 118891401
(2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-4H-chromene
CID 144733972
1-ethoxy-2,3-difluoro-4-[(E)-3-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enoxy]benzene
CID 20816615
1-[1,1-difluoro-3-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]propoxy]-4-ethoxy-2,3-difluorobenzene
CID 59049009
6-ethoxy-3,4,5-trifluoro-2-[4-(6-propyloxan-3-yl)cyclohexyl]-9H-xanthene
CID 118890899
2-[4-(2,2-difluoroethenyl)cyclohexyl]-6-ethoxy-3,4,5-trifluoro-9H-xanthene
CID 118891129
6-[difluoro-(4-propylcyclohexyl)methoxy]-3,4,5-trifluoro-2-propyl-9H-xanthene
CID 118891189
2-[(4-but-3-enylcyclohexen-1-yl)methoxy]-6-ethoxy-3,4,5-trifluoro-9H-xanthene
CID 118891449

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,4,5-trifluoro-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-9H-xanthene?
The IUPAC name of 2-ethoxy-3,4,5-trifluoro-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-9H-xanthene (CID 118891426) is 2-ethoxy-3,4,5-trifluoro-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-9H-xanthene.
What is the SMILES notation for 2-ethoxy-3,4,5-trifluoro-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-9H-xanthene?
The canonical SMILES for 2-ethoxy-3,4,5-trifluoro-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-9H-xanthene is CCCC1CCC(/C=C/c2ccc3c(c2F)Oc2c(cc(OCC)c(F)c2F)C3)CC1.
What is the InChIKey of 2-ethoxy-3,4,5-trifluoro-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-9H-xanthene?
The InChIKey is RNYISJGHEGQYDY-ZHACJKMWSA-N. The full InChI is InChI=1S/C26H29F3O2/c1-3-5-16-6-8-17(9-7-16)10-11-18-12-13-19-14-20-15-21(30-4-2)23(28)24(29)26(20)31-25(19)22(18)27/h10-13,15-17H,3-9,14H2,1-2H3/b11-10+.
What are the key properties of 2-ethoxy-3,4,5-trifluoro-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-9H-xanthene?
2-ethoxy-3,4,5-trifluoro-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-9H-xanthene has a molecular weight of 430.51 g/mol, XLogP of 7.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,4,5-trifluoro-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-9H-xanthene is sourced from PubChem (CID 118891426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).