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

C32H41F3O2 — CID 118891106

IUPAC3,4,5-trifluoro-2-propyl-6-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]-9H-xanthene
SMILESCCCc1cc2c(c(F)c1F)Oc1c(ccc(CCC3CCC(C4CCC(CCC)CC4)CO3)c1F)C2
InChIInChI=1S/C32H41F3O2/c1-3-5-20-7-9-21(10-8-20)25-14-16-27(36-19-25)15-13-22-11-12-24-18-26-17-23(6-4-2)28(33)30(35)32(26)37-31(24)29(22)34/h11-12,17,20-21,25,27H,3-10,13-16,18-19H2,1-2H3
InChIKeyBGTMMFFNOFOPMH-UHFFFAOYSA-N
MW514.67 g/mol
LogP9.09
Rot. Bonds8

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

3,4,5-trifluoro-2-propyl-6-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]-9H-xanthene (PubChem CID 118891106) has the molecular formula C32H41F3O2 and a molecular weight of 514.67 g/mol. Its IUPAC name is 3,4,5-trifluoro-2-propyl-6-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]-9H-xanthene.

Molecular Properties

Compound Name3,4,5-trifluoro-2-propyl-6-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]-9H-xanthene
PubChem CID118891106
Molecular FormulaC32H41F3O2
Molecular Weight514.67 g/mol
Exact Mass514.31
IUPAC Name3,4,5-trifluoro-2-propyl-6-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]-9H-xanthene
SMILESCCCc1cc2c(c(F)c1F)Oc1c(ccc(CCC3CCC(C4CCC(CCC)CC4)CO3)c1F)C2
InChIInChI=1S/C32H41F3O2/c1-3-5-20-7-9-21(10-8-20)25-14-16-27(36-19-25)15-13-22-11-12-24-18-26-17-23(6-4-2)28(33)30(35)32(26)37-31(24)29(22)34/h11-12,17,20-21,25,27H,3-10,13-16,18-19H2,1-2H3
InChIKeyBGTMMFFNOFOPMH-UHFFFAOYSA-N
XLogP9.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-trifluoro-2-propyl-6-[2-(5-propyloxan-2-yl)ethyl]-9H-xanthene
CID 118891441
(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
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
(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
6-ethoxy-3,4,5-trifluoro-2-[4-(6-propyloxan-3-yl)cyclohexyl]-9H-xanthene
CID 118890899
6-ethoxy-3,4,5-trifluoro-2-[6-[2-(4-propylcyclohexyl)ethyl]oxan-3-yl]-9H-xanthene
CID 118891203
2-(2,3-difluoro-4-propylphenyl)-6-ethyl-3,4,5-trifluoro-9H-xanthene
CID 118891234
2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 158295310
2-[4-[2,3-difluoro-4-[2-(5-propyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane
CID 58535615

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-2-propyl-6-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]-9H-xanthene?
The IUPAC name of 3,4,5-trifluoro-2-propyl-6-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]-9H-xanthene (CID 118891106) is 3,4,5-trifluoro-2-propyl-6-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]-9H-xanthene.
What is the SMILES notation for 3,4,5-trifluoro-2-propyl-6-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]-9H-xanthene?
The canonical SMILES for 3,4,5-trifluoro-2-propyl-6-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]-9H-xanthene is CCCc1cc2c(c(F)c1F)Oc1c(ccc(CCC3CCC(C4CCC(CCC)CC4)CO3)c1F)C2.
What is the InChIKey of 3,4,5-trifluoro-2-propyl-6-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]-9H-xanthene?
The InChIKey is BGTMMFFNOFOPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41F3O2/c1-3-5-20-7-9-21(10-8-20)25-14-16-27(36-19-25)15-13-22-11-12-24-18-26-17-23(6-4-2)28(33)30(35)32(26)37-31(24)29(22)34/h11-12,17,20-21,25,27H,3-10,13-16,18-19H2,1-2H3.
What are the key properties of 3,4,5-trifluoro-2-propyl-6-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]-9H-xanthene?
3,4,5-trifluoro-2-propyl-6-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]-9H-xanthene has a molecular weight of 514.67 g/mol, XLogP of 9.09, 8 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-(4-propylcyclohexyl)oxan-2-yl]ethyl]-9H-xanthene is sourced from PubChem (CID 118891106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).