2-[4-[difluoro-(3,4,5-trifluorocyclohex-2-en-1-yl)oxymethyl]-3,5-difluorocyclopent-2-en-1-yl]-1,3-difluoro-5-(2-fluoro-4-methylcyclohex-2-en-1-yl)cyclohexa-1,3-diene

C25H24F10O — CID 162563226

IUPAC2-[4-[difluoro-(3,4,5-trifluorocyclohex-2-en-1-yl)oxymethyl]-3,5-difluorocyclopent-2-en-1-yl]-1,3-difluoro-5-(2-fluoro-4-methylcyclohex-2-en-1-yl)cyclohexa-1,3-diene
SMILESCC1C=C(F)C(C2C=C(F)C(C3C=C(F)C(C(F)(F)OC4C=C(F)C(F)C(F)C4)C3F)=C(F)C2)CC1
InChIInChI=1S/C25H24F10O/c1-10-2-3-13(15(26)4-10)11-5-16(27)21(17(28)6-11)14-9-18(29)22(23(14)32)25(34,35)36-12-7-19(30)24(33)20(31)8-12/h4-5,7,9-14,20,22-24H,2-3,6,8H2,1H3
InChIKeyGTSSUZGKAYVTRK-UHFFFAOYSA-N
MW530.45 g/mol
LogP8.33
Rot. Bonds5

About 2-[4-[difluoro-(3,4,5-trifluorocyclohex-2-en-1-yl)oxymethyl]-3,5-difluorocyclopent-2-en-1-yl]-1,3-difluoro-5-(2-fluoro-4-methylcyclohex-2-en-1-yl)cyclohexa-1,3-diene

2-[4-[difluoro-(3,4,5-trifluorocyclohex-2-en-1-yl)oxymethyl]-3,5-difluorocyclopent-2-en-1-yl]-1,3-difluoro-5-(2-fluoro-4-methylcyclohex-2-en-1-yl)cyclohexa-1,3-diene (PubChem CID 162563226) has the molecular formula C25H24F10O and a molecular weight of 530.45 g/mol. Its IUPAC name is 2-[4-[difluoro-(3,4,5-trifluorocyclohex-2-en-1-yl)oxymethyl]-3,5-difluorocyclopent-2-en-1-yl]-1,3-difluoro-5-(2-fluoro-4-methylcyclohex-2-en-1-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[4-[difluoro-(3,4,5-trifluorocyclohex-2-en-1-yl)oxymethyl]-3,5-difluorocyclopent-2-en-1-yl]-1,3-difluoro-5-(2-fluoro-4-methylcyclohex-2-en-1-yl)cyclohexa-1,3-diene
PubChem CID162563226
Molecular FormulaC25H24F10O
Molecular Weight530.45 g/mol
Exact Mass530.17
IUPAC Name2-[4-[difluoro-(3,4,5-trifluorocyclohex-2-en-1-yl)oxymethyl]-3,5-difluorocyclopent-2-en-1-yl]-1,3-difluoro-5-(2-fluoro-4-methylcyclohex-2-en-1-yl)cyclohexa-1,3-diene
SMILESCC1C=C(F)C(C2C=C(F)C(C3C=C(F)C(C(F)(F)OC4C=C(F)C(F)C(F)C4)C3F)=C(F)C2)CC1
InChIInChI=1S/C25H24F10O/c1-10-2-3-13(15(26)4-10)11-5-16(27)21(17(28)6-11)14-9-18(29)22(23(14)32)25(34,35)36-12-7-19(30)24(33)20(31)8-12/h4-5,7,9-14,20,22-24H,2-3,6,8H2,1H3
InChIKeyGTSSUZGKAYVTRK-UHFFFAOYSA-N
XLogP8.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.45
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-[difluoro-(3,4,5-trifluorocyclohex-2-en-1-yl)oxymethyl]-3,5-difluorocyclopent-2-en-1-yl]-1,3-difluoro-5-(2-fluoro-4-methylcyclohex-2-en-1-yl)cyclohexa-1,3-diene with MolForge

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Related Compounds

5-fluoro-2-(4-propylcyclohexyl)-5-(1,1,2-trifluoroethoxy)-1H-naphthalene
CID 18411070
6,6-Difluoro-2-[4-(3-fluoro-4-methylcyclohex-3-en-1-yl)cyclohexyl]-5-methyl-2,3-dihydropyran
CID 53709254
6,6-Difluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-2,3-dihydropyran
CID 54054039
6,6-Difluoro-5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2,3-dihydropyran
CID 54228211
2-[4-(3,3-Difluoro-4-methylcyclohexyl)cyclohexyl]-6,6-difluoro-5-methyl-2,3-dihydropyran
CID 54424465
6,6-Difluoro-5-methyl-2-[4-[2-(4-methylcyclohex-3-en-1-yl)ethyl]cyclohexyl]-2,3-dihydropyran
CID 54471779
6,6-Difluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-2,3-dihydropyran
CID 54507333
6,6-Difluoro-5-methyl-2-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]-2,3-dihydropyran
CID 54544564
2-(4-Propylcyclohexen-1-yl)-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
CID 54552566
6,6-Difluoro-5-methyl-2-[2-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]ethyl]-2,3-dihydropyran
CID 54553562
2-(4-Octylcyclohexen-1-yl)-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
CID 56606008
2-(4-Heptylcyclohexen-1-yl)-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
CID 56610682

Frequently Asked Questions

What is the IUPAC name of 2-[4-[difluoro-(3,4,5-trifluorocyclohex-2-en-1-yl)oxymethyl]-3,5-difluorocyclopent-2-en-1-yl]-1,3-difluoro-5-(2-fluoro-4-methylcyclohex-2-en-1-yl)cyclohexa-1,3-diene?
The IUPAC name of 2-[4-[difluoro-(3,4,5-trifluorocyclohex-2-en-1-yl)oxymethyl]-3,5-difluorocyclopent-2-en-1-yl]-1,3-difluoro-5-(2-fluoro-4-methylcyclohex-2-en-1-yl)cyclohexa-1,3-diene (CID 162563226) is 2-[4-[difluoro-(3,4,5-trifluorocyclohex-2-en-1-yl)oxymethyl]-3,5-difluorocyclopent-2-en-1-yl]-1,3-difluoro-5-(2-fluoro-4-methylcyclohex-2-en-1-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-[4-[difluoro-(3,4,5-trifluorocyclohex-2-en-1-yl)oxymethyl]-3,5-difluorocyclopent-2-en-1-yl]-1,3-difluoro-5-(2-fluoro-4-methylcyclohex-2-en-1-yl)cyclohexa-1,3-diene?
The canonical SMILES for 2-[4-[difluoro-(3,4,5-trifluorocyclohex-2-en-1-yl)oxymethyl]-3,5-difluorocyclopent-2-en-1-yl]-1,3-difluoro-5-(2-fluoro-4-methylcyclohex-2-en-1-yl)cyclohexa-1,3-diene is CC1C=C(F)C(C2C=C(F)C(C3C=C(F)C(C(F)(F)OC4C=C(F)C(F)C(F)C4)C3F)=C(F)C2)CC1.
What is the InChIKey of 2-[4-[difluoro-(3,4,5-trifluorocyclohex-2-en-1-yl)oxymethyl]-3,5-difluorocyclopent-2-en-1-yl]-1,3-difluoro-5-(2-fluoro-4-methylcyclohex-2-en-1-yl)cyclohexa-1,3-diene?
The InChIKey is GTSSUZGKAYVTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F10O/c1-10-2-3-13(15(26)4-10)11-5-16(27)21(17(28)6-11)14-9-18(29)22(23(14)32)25(34,35)36-12-7-19(30)24(33)20(31)8-12/h4-5,7,9-14,20,22-24H,2-3,6,8H2,1H3.
What are the key properties of 2-[4-[difluoro-(3,4,5-trifluorocyclohex-2-en-1-yl)oxymethyl]-3,5-difluorocyclopent-2-en-1-yl]-1,3-difluoro-5-(2-fluoro-4-methylcyclohex-2-en-1-yl)cyclohexa-1,3-diene?
2-[4-[difluoro-(3,4,5-trifluorocyclohex-2-en-1-yl)oxymethyl]-3,5-difluorocyclopent-2-en-1-yl]-1,3-difluoro-5-(2-fluoro-4-methylcyclohex-2-en-1-yl)cyclohexa-1,3-diene has a molecular weight of 530.45 g/mol, XLogP of 8.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[difluoro-(3,4,5-trifluorocyclohex-2-en-1-yl)oxymethyl]-3,5-difluorocyclopent-2-en-1-yl]-1,3-difluoro-5-(2-fluoro-4-methylcyclohex-2-en-1-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 162563226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).