fluoromethane;1-fluoro-4-propylbenzene;3,4,5-trifluoro-2-(4-methoxyphenyl)-6-propyl-9H-xanthene

C33H33F5O2 — CID 144734058

IUPACfluoromethane;1-fluoro-4-propylbenzene;3,4,5-trifluoro-2-(4-methoxyphenyl)-6-propyl-9H-xanthene
SMILESCCCc1ccc(F)cc1.CCCc1ccc2c(c1F)Oc1c(cc(-c3ccc(OC)cc3)c(F)c1F)C2.CF
InChIInChI=1S/C23H19F3O2.C9H11F.CH3F/c1-3-4-14-5-6-15-11-16-12-18(13-7-9-17(27-2)10-8-13)20(25)21(26)23(16)28-22(15)19(14)24;1-2-3-8-4-6-9(10)7-5-8;1-2/h5-10,12H,3-4,11H2,1-2H3;4-7H,2-3H2,1H3;1H3
InChIKeyZMMXRJNRWRYRIJ-UHFFFAOYSA-N
MW556.62 g/mol
LogP9.79
Rot. Bonds6

About fluoromethane;1-fluoro-4-propylbenzene;3,4,5-trifluoro-2-(4-methoxyphenyl)-6-propyl-9H-xanthene

fluoromethane;1-fluoro-4-propylbenzene;3,4,5-trifluoro-2-(4-methoxyphenyl)-6-propyl-9H-xanthene (PubChem CID 144734058) has the molecular formula C33H33F5O2 and a molecular weight of 556.62 g/mol. Its IUPAC name is fluoromethane;1-fluoro-4-propylbenzene;3,4,5-trifluoro-2-(4-methoxyphenyl)-6-propyl-9H-xanthene.

Molecular Properties

Compound Namefluoromethane;1-fluoro-4-propylbenzene;3,4,5-trifluoro-2-(4-methoxyphenyl)-6-propyl-9H-xanthene
PubChem CID144734058
Molecular FormulaC33H33F5O2
Molecular Weight556.62 g/mol
Exact Mass556.24
IUPAC Namefluoromethane;1-fluoro-4-propylbenzene;3,4,5-trifluoro-2-(4-methoxyphenyl)-6-propyl-9H-xanthene
SMILESCCCc1ccc(F)cc1.CCCc1ccc2c(c1F)Oc1c(cc(-c3ccc(OC)cc3)c(F)c1F)C2.CF
InChIInChI=1S/C23H19F3O2.C9H11F.CH3F/c1-3-4-14-5-6-15-11-16-12-18(13-7-9-17(27-2)10-8-13)20(25)21(26)23(16)28-22(15)19(14)24;1-2-3-8-4-6-9(10)7-5-8;1-2/h5-10,12H,3-4,11H2,1-2H3;4-7H,2-3H2,1H3;1H3
InChIKeyZMMXRJNRWRYRIJ-UHFFFAOYSA-N
XLogP9.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.62
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze fluoromethane;1-fluoro-4-propylbenzene;3,4,5-trifluoro-2-(4-methoxyphenyl)-6-propyl-9H-xanthene with MolForge

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Related Compounds

2-(2,3-difluoro-4-propylphenyl)-6-ethyl-3,4,5-trifluoro-9H-xanthene
CID 118891234
3,4,5-trifluoro-6-propyl-2-[(4-propylphenyl)methoxy]-9H-xanthene
CID 118891088
6-[2-(2,3-difluoro-4-propylphenyl)ethyl]-3,4,5-trifluoro-2-propyl-9H-xanthene
CID 118891250
2-fluoro-4-[2-(4-methoxyphenyl)ethyl]-1-(4-propylphenyl)benzene
CID 19906916
3,4,5-trifluoro-6-[(2-fluoro-4-propylphenyl)methoxy]-2-propyl-9H-xanthene
CID 118891069
2-[(4-but-3-enyl-2-fluorophenyl)methoxy]-3,4,5-trifluoro-6-propyl-9H-xanthene
CID 118891252
2-[(4-ethoxy-3-fluorophenoxy)-difluoromethyl]-3,4,5-trifluoro-6-propyl-9H-xanthene
CID 118891090
(3,4,5-trifluoro-6-propyl-9H-xanthen-2-yl) 4-propylcyclohexane-1-carboxylate
CID 118891401
1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene
CID 139864133
1,2,8-trifluoro-7-pentyl-3-(4-propylphenyl)naphthalene
CID 139861938
1-[2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene
CID 70946204
1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627

Frequently Asked Questions

What is the IUPAC name of fluoromethane;1-fluoro-4-propylbenzene;3,4,5-trifluoro-2-(4-methoxyphenyl)-6-propyl-9H-xanthene?
The IUPAC name of fluoromethane;1-fluoro-4-propylbenzene;3,4,5-trifluoro-2-(4-methoxyphenyl)-6-propyl-9H-xanthene (CID 144734058) is fluoromethane;1-fluoro-4-propylbenzene;3,4,5-trifluoro-2-(4-methoxyphenyl)-6-propyl-9H-xanthene.
What is the SMILES notation for fluoromethane;1-fluoro-4-propylbenzene;3,4,5-trifluoro-2-(4-methoxyphenyl)-6-propyl-9H-xanthene?
The canonical SMILES for fluoromethane;1-fluoro-4-propylbenzene;3,4,5-trifluoro-2-(4-methoxyphenyl)-6-propyl-9H-xanthene is CCCc1ccc(F)cc1.CCCc1ccc2c(c1F)Oc1c(cc(-c3ccc(OC)cc3)c(F)c1F)C2.CF.
What is the InChIKey of fluoromethane;1-fluoro-4-propylbenzene;3,4,5-trifluoro-2-(4-methoxyphenyl)-6-propyl-9H-xanthene?
The InChIKey is ZMMXRJNRWRYRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3O2.C9H11F.CH3F/c1-3-4-14-5-6-15-11-16-12-18(13-7-9-17(27-2)10-8-13)20(25)21(26)23(16)28-22(15)19(14)24;1-2-3-8-4-6-9(10)7-5-8;1-2/h5-10,12H,3-4,11H2,1-2H3;4-7H,2-3H2,1H3;1H3.
What are the key properties of fluoromethane;1-fluoro-4-propylbenzene;3,4,5-trifluoro-2-(4-methoxyphenyl)-6-propyl-9H-xanthene?
fluoromethane;1-fluoro-4-propylbenzene;3,4,5-trifluoro-2-(4-methoxyphenyl)-6-propyl-9H-xanthene has a molecular weight of 556.62 g/mol, XLogP of 9.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;1-fluoro-4-propylbenzene;3,4,5-trifluoro-2-(4-methoxyphenyl)-6-propyl-9H-xanthene is sourced from PubChem (CID 144734058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).