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

C26H29F5O2 — CID 118891189

IUPAC6-[difluoro-(4-propylcyclohexyl)methoxy]-3,4,5-trifluoro-2-propyl-9H-xanthene
SMILESCCCc1cc2c(c(F)c1F)Oc1c(ccc(OC(F)(F)C3CCC(CCC)CC3)c1F)C2
InChIInChI=1S/C26H29F5O2/c1-3-5-15-7-10-19(11-8-15)26(30,31)33-20-12-9-17-14-18-13-16(6-4-2)21(27)23(29)25(18)32-24(17)22(20)28/h9,12-13,15,19H,3-8,10-11,14H2,1-2H3
InChIKeyHAZNWVKEMYFGJO-UHFFFAOYSA-N
MW468.51 g/mol
LogP8.33
Rot. Bonds7

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

6-[difluoro-(4-propylcyclohexyl)methoxy]-3,4,5-trifluoro-2-propyl-9H-xanthene (PubChem CID 118891189) has the molecular formula C26H29F5O2 and a molecular weight of 468.51 g/mol. Its IUPAC name is 6-[difluoro-(4-propylcyclohexyl)methoxy]-3,4,5-trifluoro-2-propyl-9H-xanthene.

Molecular Properties

Compound Name6-[difluoro-(4-propylcyclohexyl)methoxy]-3,4,5-trifluoro-2-propyl-9H-xanthene
PubChem CID118891189
Molecular FormulaC26H29F5O2
Molecular Weight468.51 g/mol
Exact Mass468.21
IUPAC Name6-[difluoro-(4-propylcyclohexyl)methoxy]-3,4,5-trifluoro-2-propyl-9H-xanthene
SMILESCCCc1cc2c(c(F)c1F)Oc1c(ccc(OC(F)(F)C3CCC(CCC)CC3)c1F)C2
InChIInChI=1S/C26H29F5O2/c1-3-5-15-7-10-19(11-8-15)26(30,31)33-20-12-9-17-14-18-13-16(6-4-2)21(27)23(29)25(18)32-24(17)22(20)28/h9,12-13,15,19H,3-8,10-11,14H2,1-2H3
InChIKeyHAZNWVKEMYFGJO-UHFFFAOYSA-N
XLogP8.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.51
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

3,4,5-trifluoro-2-propyl-6-[2-(5-propyloxan-2-yl)ethyl]-9H-xanthene
CID 118891441
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
3,4,5-trifluoro-6-[4-(3-fluoropropyl)cyclohexyl]-2-propyl-9H-xanthene
CID 118891238
(3,4,5-trifluoro-6-propyl-9H-xanthen-2-yl) 4-propylcyclohexane-1-carboxylate
CID 118891401
3,4,5-trifluoro-6-[(2-fluoro-4-propylphenyl)methoxy]-2-propyl-9H-xanthene
CID 118891069
(4,5,6-trifluoro-7-propyl-9H-xanthen-3-yl) 4-(6-propyloxan-3-yl)cyclohexane-1-carboxylate
CID 118891427
1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 18352363
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
2-ethoxy-3,4,5-trifluoro-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-9H-xanthene
CID 118891426
3,4,5-trifluoro-6-[4-[(E)-prop-1-enyl]cyclohexyl]-2-propyl-9H-xanthene
CID 118891328

Frequently Asked Questions

What is the IUPAC name of 6-[difluoro-(4-propylcyclohexyl)methoxy]-3,4,5-trifluoro-2-propyl-9H-xanthene?
The IUPAC name of 6-[difluoro-(4-propylcyclohexyl)methoxy]-3,4,5-trifluoro-2-propyl-9H-xanthene (CID 118891189) is 6-[difluoro-(4-propylcyclohexyl)methoxy]-3,4,5-trifluoro-2-propyl-9H-xanthene.
What is the SMILES notation for 6-[difluoro-(4-propylcyclohexyl)methoxy]-3,4,5-trifluoro-2-propyl-9H-xanthene?
The canonical SMILES for 6-[difluoro-(4-propylcyclohexyl)methoxy]-3,4,5-trifluoro-2-propyl-9H-xanthene is CCCc1cc2c(c(F)c1F)Oc1c(ccc(OC(F)(F)C3CCC(CCC)CC3)c1F)C2.
What is the InChIKey of 6-[difluoro-(4-propylcyclohexyl)methoxy]-3,4,5-trifluoro-2-propyl-9H-xanthene?
The InChIKey is HAZNWVKEMYFGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F5O2/c1-3-5-15-7-10-19(11-8-15)26(30,31)33-20-12-9-17-14-18-13-16(6-4-2)21(27)23(29)25(18)32-24(17)22(20)28/h9,12-13,15,19H,3-8,10-11,14H2,1-2H3.
What are the key properties of 6-[difluoro-(4-propylcyclohexyl)methoxy]-3,4,5-trifluoro-2-propyl-9H-xanthene?
6-[difluoro-(4-propylcyclohexyl)methoxy]-3,4,5-trifluoro-2-propyl-9H-xanthene has a molecular weight of 468.51 g/mol, XLogP of 8.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[difluoro-(4-propylcyclohexyl)methoxy]-3,4,5-trifluoro-2-propyl-9H-xanthene is sourced from PubChem (CID 118891189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).