3,4,5-trifluoro-2-propyl-6-[2-(5-propyloxan-2-yl)ethyl]-9H-xanthene

C26H31F3O2 — CID 118891441

IUPAC3,4,5-trifluoro-2-propyl-6-[2-(5-propyloxan-2-yl)ethyl]-9H-xanthene
SMILESCCCc1cc2c(c(F)c1F)Oc1c(ccc(CCC3CCC(CCC)CO3)c1F)C2
InChIInChI=1S/C26H31F3O2/c1-3-5-16-7-11-21(30-15-16)12-10-17-8-9-19-14-20-13-18(6-4-2)22(27)24(29)26(20)31-25(19)23(17)28/h8-9,13,16,21H,3-7,10-12,14-15H2,1-2H3
InChIKeyOSUCBMYRMDJQJX-UHFFFAOYSA-N
MW432.53 g/mol
LogP7.28
Rot. Bonds7

About 3,4,5-trifluoro-2-propyl-6-[2-(5-propyloxan-2-yl)ethyl]-9H-xanthene

3,4,5-trifluoro-2-propyl-6-[2-(5-propyloxan-2-yl)ethyl]-9H-xanthene (PubChem CID 118891441) has the molecular formula C26H31F3O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 3,4,5-trifluoro-2-propyl-6-[2-(5-propyloxan-2-yl)ethyl]-9H-xanthene.

Molecular Properties

Compound Name3,4,5-trifluoro-2-propyl-6-[2-(5-propyloxan-2-yl)ethyl]-9H-xanthene
PubChem CID118891441
Molecular FormulaC26H31F3O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name3,4,5-trifluoro-2-propyl-6-[2-(5-propyloxan-2-yl)ethyl]-9H-xanthene
SMILESCCCc1cc2c(c(F)c1F)Oc1c(ccc(CCC3CCC(CCC)CO3)c1F)C2
InChIInChI=1S/C26H31F3O2/c1-3-5-16-7-11-21(30-15-16)12-10-17-8-9-19-14-20-13-18(6-4-2)22(27)24(29)26(20)31-25(19)23(17)28/h8-9,13,16,21H,3-7,10-12,14-15H2,1-2H3
InChIKeyOSUCBMYRMDJQJX-UHFFFAOYSA-N
XLogP7.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-trifluoro-2-propyl-6-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]-9H-xanthene
CID 118891106
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
(4,5,6-trifluoro-7-propyl-9H-xanthen-3-yl) 4-(6-propyloxan-3-yl)cyclohexane-1-carboxylate
CID 118891427
5-(4-methoxycyclohexyl)-2-propyloxane;4,5,6-trifluoro-7-propyl-9H-xanthene-3-carbaldehyde
CID 144734076
2-[4-[2,3-difluoro-4-[2-(5-propyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane
CID 58535615
(3,4,5-trifluoro-6-propyl-9H-xanthen-2-yl) 4-propylcyclohexane-1-carboxylate
CID 118891401
3,4,5-trifluoro-6-[4-(3-fluoropropyl)cyclohexyl]-2-propyl-9H-xanthene
CID 118891238
2-(2,3-difluoro-4-propylphenyl)-6-ethyl-3,4,5-trifluoro-9H-xanthene
CID 118891234
6-ethoxy-3,4,5-trifluoro-2-[6-[2-(4-propylcyclohexyl)ethyl]oxan-3-yl]-9H-xanthene
CID 118891203
2-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-5-(5-propyloxan-2-yl)oxane
CID 58535519
2-[4-[2,3-difluoro-4-[2-(5-prop-1-enyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane
CID 76816050

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-2-propyl-6-[2-(5-propyloxan-2-yl)ethyl]-9H-xanthene?
The IUPAC name of 3,4,5-trifluoro-2-propyl-6-[2-(5-propyloxan-2-yl)ethyl]-9H-xanthene (CID 118891441) is 3,4,5-trifluoro-2-propyl-6-[2-(5-propyloxan-2-yl)ethyl]-9H-xanthene.
What is the SMILES notation for 3,4,5-trifluoro-2-propyl-6-[2-(5-propyloxan-2-yl)ethyl]-9H-xanthene?
The canonical SMILES for 3,4,5-trifluoro-2-propyl-6-[2-(5-propyloxan-2-yl)ethyl]-9H-xanthene is CCCc1cc2c(c(F)c1F)Oc1c(ccc(CCC3CCC(CCC)CO3)c1F)C2.
What is the InChIKey of 3,4,5-trifluoro-2-propyl-6-[2-(5-propyloxan-2-yl)ethyl]-9H-xanthene?
The InChIKey is OSUCBMYRMDJQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3O2/c1-3-5-16-7-11-21(30-15-16)12-10-17-8-9-19-14-20-13-18(6-4-2)22(27)24(29)26(20)31-25(19)23(17)28/h8-9,13,16,21H,3-7,10-12,14-15H2,1-2H3.
What are the key properties of 3,4,5-trifluoro-2-propyl-6-[2-(5-propyloxan-2-yl)ethyl]-9H-xanthene?
3,4,5-trifluoro-2-propyl-6-[2-(5-propyloxan-2-yl)ethyl]-9H-xanthene has a molecular weight of 432.53 g/mol, XLogP of 7.28, 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-2-propyl-6-[2-(5-propyloxan-2-yl)ethyl]-9H-xanthene is sourced from PubChem (CID 118891441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).