6-[4-(2,2-difluoroethenyl)cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene

C24H23F5O — CID 118891244

IUPAC6-[4-(2,2-difluoroethenyl)cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene
SMILESCCCc1cc2c(c(F)c1F)Oc1c(ccc(C3CCC(C=C(F)F)CC3)c1F)C2
InChIInChI=1S/C24H23F5O/c1-2-3-15-11-17-12-16-8-9-18(14-6-4-13(5-7-14)10-19(25)26)21(28)23(16)30-24(17)22(29)20(15)27/h8-11,13-14H,2-7,12H2,1H3
InChIKeyFXEVANOEQASWAB-UHFFFAOYSA-N
MW422.44 g/mol
LogP7.81
Rot. Bonds4

About 6-[4-(2,2-difluoroethenyl)cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene

6-[4-(2,2-difluoroethenyl)cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene (PubChem CID 118891244) has the molecular formula C24H23F5O and a molecular weight of 422.44 g/mol. Its IUPAC name is 6-[4-(2,2-difluoroethenyl)cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene.

Molecular Properties

Compound Name6-[4-(2,2-difluoroethenyl)cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene
PubChem CID118891244
Molecular FormulaC24H23F5O
Molecular Weight422.44 g/mol
Exact Mass422.17
IUPAC Name6-[4-(2,2-difluoroethenyl)cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene
SMILESCCCc1cc2c(c(F)c1F)Oc1c(ccc(C3CCC(C=C(F)F)CC3)c1F)C2
InChIInChI=1S/C24H23F5O/c1-2-3-15-11-17-12-16-8-9-18(14-6-4-13(5-7-14)10-19(25)26)21(28)23(16)30-24(17)22(29)20(15)27/h8-11,13-14H,2-7,12H2,1H3
InChIKeyFXEVANOEQASWAB-UHFFFAOYSA-N
XLogP7.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-[4-(2,2-difluoroethenyl)cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-trifluoro-6-[4-[(E)-prop-1-enyl]cyclohexyl]-2-propyl-9H-xanthene
CID 118891328
3,4,5-trifluoro-6-[4-(3-fluoropropyl)cyclohexyl]-2-propyl-9H-xanthene
CID 118891238
6-[4-[(E)-3,6-dimethyloct-1-enyl]cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene
CID 144734074
2-[4-(2,2-difluoroethenyl)cyclohexyl]-6-ethoxy-3,4,5-trifluoro-9H-xanthene
CID 118891129
6-[2-(2,3-difluoro-4-propylphenyl)ethyl]-3,4,5-trifluoro-2-propyl-9H-xanthene
CID 118891250
3,4,5-trifluoro-2-propyl-6-[2-(5-propyloxan-2-yl)ethyl]-9H-xanthene
CID 118891441
6-[difluoro-(4-propylcyclohexyl)methoxy]-3,4,5-trifluoro-2-propyl-9H-xanthene
CID 118891189
2-(2,3-difluoro-4-propylphenyl)-6-ethyl-3,4,5-trifluoro-9H-xanthene
CID 118891234
3,4,5-trifluoro-2-propyl-6-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]-9H-xanthene
CID 118891106
(4,5,6-trifluoro-7-propyl-9H-xanthen-3-yl) 4-(6-propyloxan-3-yl)cyclohexane-1-carboxylate
CID 118891427
3,4,5-trifluoro-6-[(2-fluoro-4-propylphenyl)methoxy]-2-propyl-9H-xanthene
CID 118891069
6-[(E)-4-butan-2-yloxy-3-methylbut-1-enyl]-3,4,5-trifluoro-2-propyl-9H-xanthene
CID 144733973

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,2-difluoroethenyl)cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene?
The IUPAC name of 6-[4-(2,2-difluoroethenyl)cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene (CID 118891244) is 6-[4-(2,2-difluoroethenyl)cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene.
What is the SMILES notation for 6-[4-(2,2-difluoroethenyl)cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene?
The canonical SMILES for 6-[4-(2,2-difluoroethenyl)cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene is CCCc1cc2c(c(F)c1F)Oc1c(ccc(C3CCC(C=C(F)F)CC3)c1F)C2.
What is the InChIKey of 6-[4-(2,2-difluoroethenyl)cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene?
The InChIKey is FXEVANOEQASWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F5O/c1-2-3-15-11-17-12-16-8-9-18(14-6-4-13(5-7-14)10-19(25)26)21(28)23(16)30-24(17)22(29)20(15)27/h8-11,13-14H,2-7,12H2,1H3.
What are the key properties of 6-[4-(2,2-difluoroethenyl)cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene?
6-[4-(2,2-difluoroethenyl)cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene has a molecular weight of 422.44 g/mol, XLogP of 7.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,2-difluoroethenyl)cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene is sourced from PubChem (CID 118891244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).