1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-[difluoro-(4-propylphenyl)methoxy]benzene

C24H26F4O — CID 22011585

IUPAC1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-[difluoro-(4-propylphenyl)methoxy]benzene
SMILESCCCc1ccc(C(F)(F)Oc2ccc(C3CCC(C=C(F)F)CC3)cc2)cc1
InChIInChI=1S/C24H26F4O/c1-2-3-17-6-12-21(13-7-17)24(27,28)29-22-14-10-20(11-15-22)19-8-4-18(5-9-19)16-23(25)26/h6-7,10-16,18-19H,2-5,8-9H2,1H3
InChIKeyHXUVUIPNGIAJQL-UHFFFAOYSA-N
MW406.46 g/mol
LogP7.82
Rot. Bonds7

About 1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-[difluoro-(4-propylphenyl)methoxy]benzene

1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-[difluoro-(4-propylphenyl)methoxy]benzene (PubChem CID 22011585) has the molecular formula C24H26F4O and a molecular weight of 406.46 g/mol. Its IUPAC name is 1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-[difluoro-(4-propylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-[difluoro-(4-propylphenyl)methoxy]benzene
PubChem CID22011585
Molecular FormulaC24H26F4O
Molecular Weight406.46 g/mol
Exact Mass406.19
IUPAC Name1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-[difluoro-(4-propylphenyl)methoxy]benzene
SMILESCCCc1ccc(C(F)(F)Oc2ccc(C3CCC(C=C(F)F)CC3)cc2)cc1
InChIInChI=1S/C24H26F4O/c1-2-3-17-6-12-21(13-7-17)24(27,28)29-22-14-10-20(11-15-22)19-8-4-18(5-9-19)16-23(25)26/h6-7,10-16,18-19H,2-5,8-9H2,1H3
InChIKeyHXUVUIPNGIAJQL-UHFFFAOYSA-N
XLogP7.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.46
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene
CID 59940202
2-[4-[4-[difluoro-(4-propylphenyl)methoxy]phenyl]cyclohexyl]-1,3-dioxane
CID 22011589
1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene
CID 19064157
4-[4-[difluoro-[4-[4-[(2S)-pentan-2-yl]cyclohexyl]phenyl]methoxy]phenyl]cyclohexane-1-carbaldehyde
CID 162547851
1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene
CID 153454405
1-[difluoro-(4-nonylphenoxy)methyl]-4-[difluoro-(4-propylphenoxy)methyl]benzene
CID 70176896
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene
CID 22080079
1-[difluoro-(4-heptylphenoxy)methyl]-4-[difluoro-(4-nonylphenoxy)methyl]benzene
CID 70177776
1-[difluoro-(4-hexylphenoxy)methyl]-4-[difluoro-(4-pentylphenoxy)methyl]benzene
CID 70178127
4-[[4-(4-ethylcyclohexyl)phenyl]-difluoromethoxy]benzonitrile
CID 67595253
1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene
CID 58665410

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-[difluoro-(4-propylphenyl)methoxy]benzene?
The IUPAC name of 1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-[difluoro-(4-propylphenyl)methoxy]benzene (CID 22011585) is 1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-[difluoro-(4-propylphenyl)methoxy]benzene.
What is the SMILES notation for 1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-[difluoro-(4-propylphenyl)methoxy]benzene?
The canonical SMILES for 1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-[difluoro-(4-propylphenyl)methoxy]benzene is CCCc1ccc(C(F)(F)Oc2ccc(C3CCC(C=C(F)F)CC3)cc2)cc1.
What is the InChIKey of 1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-[difluoro-(4-propylphenyl)methoxy]benzene?
The InChIKey is HXUVUIPNGIAJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4O/c1-2-3-17-6-12-21(13-7-17)24(27,28)29-22-14-10-20(11-15-22)19-8-4-18(5-9-19)16-23(25)26/h6-7,10-16,18-19H,2-5,8-9H2,1H3.
What are the key properties of 1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-[difluoro-(4-propylphenyl)methoxy]benzene?
1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-[difluoro-(4-propylphenyl)methoxy]benzene has a molecular weight of 406.46 g/mol, XLogP of 7.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-[difluoro-(4-propylphenyl)methoxy]benzene is sourced from PubChem (CID 22011585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).