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

C25H28F4O — CID 118891238

IUPAC3,4,5-trifluoro-6-[4-(3-fluoropropyl)cyclohexyl]-2-propyl-9H-xanthene
SMILESCCCc1cc2c(c(F)c1F)Oc1c(ccc(C3CCC(CCCF)CC3)c1F)C2
InChIInChI=1S/C25H28F4O/c1-2-4-17-13-19-14-18-10-11-20(16-8-6-15(7-9-16)5-3-12-26)22(28)24(18)30-25(19)23(29)21(17)27/h10-11,13,15-16H,2-9,12,14H2,1H3
InChIKeyNEIKCFRCGMDUDR-UHFFFAOYSA-N
MW420.49 g/mol
LogP7.78
Rot. Bonds6

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

3,4,5-trifluoro-6-[4-(3-fluoropropyl)cyclohexyl]-2-propyl-9H-xanthene (PubChem CID 118891238) has the molecular formula C25H28F4O and a molecular weight of 420.49 g/mol. Its IUPAC name is 3,4,5-trifluoro-6-[4-(3-fluoropropyl)cyclohexyl]-2-propyl-9H-xanthene.

Molecular Properties

Compound Name3,4,5-trifluoro-6-[4-(3-fluoropropyl)cyclohexyl]-2-propyl-9H-xanthene
PubChem CID118891238
Molecular FormulaC25H28F4O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC Name3,4,5-trifluoro-6-[4-(3-fluoropropyl)cyclohexyl]-2-propyl-9H-xanthene
SMILESCCCc1cc2c(c(F)c1F)Oc1c(ccc(C3CCC(CCCF)CC3)c1F)C2
InChIInChI=1S/C25H28F4O/c1-2-4-17-13-19-14-18-10-11-20(16-8-6-15(7-9-16)5-3-12-26)22(28)24(18)30-25(19)23(29)21(17)27/h10-11,13,15-16H,2-9,12,14H2,1H3
InChIKeyNEIKCFRCGMDUDR-UHFFFAOYSA-N
XLogP7.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,4,5-trifluoro-6-[4-(3-fluoropropyl)cyclohexyl]-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
6-[4-(2,2-difluoroethenyl)cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene
CID 118891244
6-[4-[(E)-3,6-dimethyloct-1-enyl]cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene
CID 144734074
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-2-propyl-6-[2-(5-propyloxan-2-yl)ethyl]-9H-xanthene
CID 118891441
6-ethoxy-3,4,5-trifluoro-2-(4-pentylcyclohexyl)-9H-xanthene
CID 118891126
3,4,5-trifluoro-2-propyl-6-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]-9H-xanthene
CID 118891106
1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene
CID 59874072
2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene
CID 19103623
(3,4,5-trifluoro-6-propyl-9H-xanthen-2-yl) 4-propylcyclohexane-1-carboxylate
CID 118891401
2-(2,3-difluoro-4-propylphenyl)-6-ethyl-3,4,5-trifluoro-9H-xanthene
CID 118891234

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-6-[4-(3-fluoropropyl)cyclohexyl]-2-propyl-9H-xanthene?
The IUPAC name of 3,4,5-trifluoro-6-[4-(3-fluoropropyl)cyclohexyl]-2-propyl-9H-xanthene (CID 118891238) is 3,4,5-trifluoro-6-[4-(3-fluoropropyl)cyclohexyl]-2-propyl-9H-xanthene.
What is the SMILES notation for 3,4,5-trifluoro-6-[4-(3-fluoropropyl)cyclohexyl]-2-propyl-9H-xanthene?
The canonical SMILES for 3,4,5-trifluoro-6-[4-(3-fluoropropyl)cyclohexyl]-2-propyl-9H-xanthene is CCCc1cc2c(c(F)c1F)Oc1c(ccc(C3CCC(CCCF)CC3)c1F)C2.
What is the InChIKey of 3,4,5-trifluoro-6-[4-(3-fluoropropyl)cyclohexyl]-2-propyl-9H-xanthene?
The InChIKey is NEIKCFRCGMDUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F4O/c1-2-4-17-13-19-14-18-10-11-20(16-8-6-15(7-9-16)5-3-12-26)22(28)24(18)30-25(19)23(29)21(17)27/h10-11,13,15-16H,2-9,12,14H2,1H3.
What are the key properties of 3,4,5-trifluoro-6-[4-(3-fluoropropyl)cyclohexyl]-2-propyl-9H-xanthene?
3,4,5-trifluoro-6-[4-(3-fluoropropyl)cyclohexyl]-2-propyl-9H-xanthene has a molecular weight of 420.49 g/mol, XLogP of 7.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-6-[4-(3-fluoropropyl)cyclohexyl]-2-propyl-9H-xanthene is sourced from PubChem (CID 118891238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).