1-[difluoro-[2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene

C23H23F5O — CID 20705567

IUPAC1-[difluoro-[2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(OC(F)(F)c2ccc(/C=C/C3CCC(C)CC3)cc2F)c(F)c1F
InChIInChI=1S/C23H23F5O/c1-14-3-6-16(7-4-14)8-9-17-10-11-18(19(24)13-17)23(27,28)29-20-12-5-15(2)21(25)22(20)26/h5,8-14,16H,3-4,6-7H2,1-2H3/b9-8+
InChIKeySREHPAMVGJQCCH-CMDGGOBGSA-N
MW410.43 g/mol
LogP7.38
Rot. Bonds5

About 1-[difluoro-[2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene

1-[difluoro-[2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene (PubChem CID 20705567) has the molecular formula C23H23F5O and a molecular weight of 410.43 g/mol. Its IUPAC name is 1-[difluoro-[2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[difluoro-[2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene
PubChem CID20705567
Molecular FormulaC23H23F5O
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Name1-[difluoro-[2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(OC(F)(F)c2ccc(/C=C/C3CCC(C)CC3)cc2F)c(F)c1F
InChIInChI=1S/C23H23F5O/c1-14-3-6-16(7-4-14)8-9-17-10-11-18(19(24)13-17)23(27,28)29-20-12-5-15(2)21(25)22(20)26/h5,8-14,16H,3-4,6-7H2,1-2H3/b9-8+
InChIKeySREHPAMVGJQCCH-CMDGGOBGSA-N
XLogP7.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.43
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[difluoro-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene
CID 20705586
1-[difluoro-(4-methylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene
CID 20705610
2-(2,2-difluoroethenoxy)-5-[difluoro-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-1,3-difluorobenzene
CID 123658176
(2,3-difluoro-4-methylphenyl) 4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane-1-carboxylate
CID 20705670
4-[4-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]methoxy]cyclohexyl]-2-fluoro-1-(trifluoromethyl)benzene
CID 122502192
2,6-dimethyl-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]aniline
CID 59881516
1,2-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene
CID 54320850
[4-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2-fluorophenyl]methanol
CID 76658196
2-[2-[4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethenyl]cyclohexyl]ethyl]-1,3-dioxane
CID 86751781
1-[difluoro-[2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexen-1-yl]methoxy]-4-methylbenzene;1-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]phenyl]methoxy]-4-methylbenzene
CID 90916538
2-[[2,3-difluoro-4-(4-methylcyclohexyl)phenoxy]-difluoromethyl]-1,3,4-trifluoro-5-(4-methylcyclohexyl)benzene
CID 20705643
2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]phenyl]benzene
CID 90179691

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-[2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-[difluoro-[2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene (CID 20705567) is 1-[difluoro-[2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-[difluoro-[2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-[difluoro-[2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene is Cc1ccc(OC(F)(F)c2ccc(/C=C/C3CCC(C)CC3)cc2F)c(F)c1F.
What is the InChIKey of 1-[difluoro-[2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene?
The InChIKey is SREHPAMVGJQCCH-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H23F5O/c1-14-3-6-16(7-4-14)8-9-17-10-11-18(19(24)13-17)23(27,28)29-20-12-5-15(2)21(25)22(20)26/h5,8-14,16H,3-4,6-7H2,1-2H3/b9-8+.
What are the key properties of 1-[difluoro-[2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene?
1-[difluoro-[2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene has a molecular weight of 410.43 g/mol, XLogP of 7.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-[2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 20705567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).