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

C23H21F5O2 — CID 118891129

IUPAC2-[4-(2,2-difluoroethenyl)cyclohexyl]-6-ethoxy-3,4,5-trifluoro-9H-xanthene
SMILESCCOc1ccc2c(c1F)Oc1c(cc(C3CCC(C=C(F)F)CC3)c(F)c1F)C2
InChIInChI=1S/C23H21F5O2/c1-2-29-17-8-7-14-10-15-11-16(13-5-3-12(4-6-13)9-18(24)25)19(26)21(28)23(15)30-22(14)20(17)27/h7-9,11-13H,2-6,10H2,1H3
InChIKeyLLZWOIPJJLZNCQ-UHFFFAOYSA-N
MW424.41 g/mol
LogP7.25
Rot. Bonds4

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

2-[4-(2,2-difluoroethenyl)cyclohexyl]-6-ethoxy-3,4,5-trifluoro-9H-xanthene (PubChem CID 118891129) has the molecular formula C23H21F5O2 and a molecular weight of 424.41 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethenyl)cyclohexyl]-6-ethoxy-3,4,5-trifluoro-9H-xanthene.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethenyl)cyclohexyl]-6-ethoxy-3,4,5-trifluoro-9H-xanthene
PubChem CID118891129
Molecular FormulaC23H21F5O2
Molecular Weight424.41 g/mol
Exact Mass424.15
IUPAC Name2-[4-(2,2-difluoroethenyl)cyclohexyl]-6-ethoxy-3,4,5-trifluoro-9H-xanthene
SMILESCCOc1ccc2c(c1F)Oc1c(cc(C3CCC(C=C(F)F)CC3)c(F)c1F)C2
InChIInChI=1S/C23H21F5O2/c1-2-29-17-8-7-14-10-15-11-16(13-5-3-12(4-6-13)9-18(24)25)19(26)21(28)23(15)30-22(14)20(17)27/h7-9,11-13H,2-6,10H2,1H3
InChIKeyLLZWOIPJJLZNCQ-UHFFFAOYSA-N
XLogP7.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.41
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethoxy-3,4,5-trifluoro-2-(4-pentylcyclohexyl)-9H-xanthene
CID 118891126
6-ethoxy-3,4,5-trifluoro-2-[4-(6-propyloxan-3-yl)cyclohexyl]-9H-xanthene
CID 118890899
6-[4-(2,2-difluoroethenyl)cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene
CID 118891244
6-ethoxy-3,4,5-trifluoro-2-[6-[2-(4-propylcyclohexyl)ethyl]oxan-3-yl]-9H-xanthene
CID 118891203
1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene
CID 123762040
6-ethoxy-3,4,5-trifluoro-2-[[4-[(E)-pent-3-enyl]cyclohexyl]methoxy]-9H-xanthene
CID 118891059
2-ethoxy-3,4,5-trifluoro-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-9H-xanthene
CID 118891426
6-[(E)-2,5-dimethylhept-4-enoxy]-2-ethoxy-3,4,5-trifluoro-9H-xanthene
CID 144734050
1-[2,3-difluoro-4-[4-(3-fluoroprop-1-enyl)cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 123960892
3,4,5-trifluoro-6-[4-[(E)-prop-1-enyl]cyclohexyl]-2-propyl-9H-xanthene
CID 118891328
2-[(4-but-3-enylcyclohexen-1-yl)methoxy]-6-ethoxy-3,4,5-trifluoro-9H-xanthene
CID 118891449
(4-propylphenyl) 6-ethoxy-3,4,5-trifluoro-9H-xanthene-2-carboxylate
CID 118891407

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethenyl)cyclohexyl]-6-ethoxy-3,4,5-trifluoro-9H-xanthene?
The IUPAC name of 2-[4-(2,2-difluoroethenyl)cyclohexyl]-6-ethoxy-3,4,5-trifluoro-9H-xanthene (CID 118891129) is 2-[4-(2,2-difluoroethenyl)cyclohexyl]-6-ethoxy-3,4,5-trifluoro-9H-xanthene.
What is the SMILES notation for 2-[4-(2,2-difluoroethenyl)cyclohexyl]-6-ethoxy-3,4,5-trifluoro-9H-xanthene?
The canonical SMILES for 2-[4-(2,2-difluoroethenyl)cyclohexyl]-6-ethoxy-3,4,5-trifluoro-9H-xanthene is CCOc1ccc2c(c1F)Oc1c(cc(C3CCC(C=C(F)F)CC3)c(F)c1F)C2.
What is the InChIKey of 2-[4-(2,2-difluoroethenyl)cyclohexyl]-6-ethoxy-3,4,5-trifluoro-9H-xanthene?
The InChIKey is LLZWOIPJJLZNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F5O2/c1-2-29-17-8-7-14-10-15-11-16(13-5-3-12(4-6-13)9-18(24)25)19(26)21(28)23(15)30-22(14)20(17)27/h7-9,11-13H,2-6,10H2,1H3.
What are the key properties of 2-[4-(2,2-difluoroethenyl)cyclohexyl]-6-ethoxy-3,4,5-trifluoro-9H-xanthene?
2-[4-(2,2-difluoroethenyl)cyclohexyl]-6-ethoxy-3,4,5-trifluoro-9H-xanthene has a molecular weight of 424.41 g/mol, XLogP of 7.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethenyl)cyclohexyl]-6-ethoxy-3,4,5-trifluoro-9H-xanthene is sourced from PubChem (CID 118891129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).