2,2-difluoro-5-[4-[4-(4-propylphenyl)phenyl]cyclohexyl]-3,4-dihydropyran

C26H30F2O — CID 154524218

IUPAC2,2-difluoro-5-[4-[4-(4-propylphenyl)phenyl]cyclohexyl]-3,4-dihydropyran
SMILESCCCc1ccc(-c2ccc(C3CCC(C4=COC(F)(F)CC4)CC3)cc2)cc1
InChIInChI=1S/C26H30F2O/c1-2-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-26(27,28)29-18-25/h4-11,18,23-24H,2-3,12-17H2,1H3
InChIKeyQOLKSULUVLWGCP-UHFFFAOYSA-N
MW396.52 g/mol
LogP7.87
Rot. Bonds5

About 2,2-difluoro-5-[4-[4-(4-propylphenyl)phenyl]cyclohexyl]-3,4-dihydropyran

2,2-difluoro-5-[4-[4-(4-propylphenyl)phenyl]cyclohexyl]-3,4-dihydropyran (PubChem CID 154524218) has the molecular formula C26H30F2O and a molecular weight of 396.52 g/mol. Its IUPAC name is 2,2-difluoro-5-[4-[4-(4-propylphenyl)phenyl]cyclohexyl]-3,4-dihydropyran.

Molecular Properties

Compound Name2,2-difluoro-5-[4-[4-(4-propylphenyl)phenyl]cyclohexyl]-3,4-dihydropyran
PubChem CID154524218
Molecular FormulaC26H30F2O
Molecular Weight396.52 g/mol
Exact Mass396.23
IUPAC Name2,2-difluoro-5-[4-[4-(4-propylphenyl)phenyl]cyclohexyl]-3,4-dihydropyran
SMILESCCCc1ccc(-c2ccc(C3CCC(C4=COC(F)(F)CC4)CC3)cc2)cc1
InChIInChI=1S/C26H30F2O/c1-2-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-26(27,28)29-18-25/h4-11,18,23-24H,2-3,12-17H2,1H3
InChIKeyQOLKSULUVLWGCP-UHFFFAOYSA-N
XLogP7.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.52
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-5-[4-(4-propylphenyl)cyclohexyl]oxane
CID 154524140
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374
1-(4-heptylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20538985
2,2-difluoro-5-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane
CID 154524141
1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene
CID 22123952
1-propyl-4-[4-(3,3,4-trifluoro-4-methylcyclopentyl)phenyl]benzene
CID 122677235
2,5-bis[4-(4-propylphenyl)cyclohexyl]furan
CID 141384048
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-[4-(4-ethenyl-3,3-difluorocyclohexyl)cyclohexyl]-4-propylbenzene
CID 130352058
2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene
CID 166999626
4-[4-(4-octylphenyl)phenyl]cyclohexane-1-carbonitrile
CID 19979856

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-[4-[4-(4-propylphenyl)phenyl]cyclohexyl]-3,4-dihydropyran?
The IUPAC name of 2,2-difluoro-5-[4-[4-(4-propylphenyl)phenyl]cyclohexyl]-3,4-dihydropyran (CID 154524218) is 2,2-difluoro-5-[4-[4-(4-propylphenyl)phenyl]cyclohexyl]-3,4-dihydropyran.
What is the SMILES notation for 2,2-difluoro-5-[4-[4-(4-propylphenyl)phenyl]cyclohexyl]-3,4-dihydropyran?
The canonical SMILES for 2,2-difluoro-5-[4-[4-(4-propylphenyl)phenyl]cyclohexyl]-3,4-dihydropyran is CCCc1ccc(-c2ccc(C3CCC(C4=COC(F)(F)CC4)CC3)cc2)cc1.
What is the InChIKey of 2,2-difluoro-5-[4-[4-(4-propylphenyl)phenyl]cyclohexyl]-3,4-dihydropyran?
The InChIKey is QOLKSULUVLWGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2O/c1-2-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-26(27,28)29-18-25/h4-11,18,23-24H,2-3,12-17H2,1H3.
What are the key properties of 2,2-difluoro-5-[4-[4-(4-propylphenyl)phenyl]cyclohexyl]-3,4-dihydropyran?
2,2-difluoro-5-[4-[4-(4-propylphenyl)phenyl]cyclohexyl]-3,4-dihydropyran has a molecular weight of 396.52 g/mol, XLogP of 7.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-[4-[4-(4-propylphenyl)phenyl]cyclohexyl]-3,4-dihydropyran is sourced from PubChem (CID 154524218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).