6,6-difluoro-3-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,5-dihydropyran

C26H29F3O — CID 154524200

IUPAC6,6-difluoro-3-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,5-dihydropyran
SMILESCCCC1CCC(c2ccc(-c3ccc(C4=CCC(F)(F)OC4)cc3)c(F)c2)CC1
InChIInChI=1S/C26H29F3O/c1-2-3-18-4-6-19(7-5-18)22-12-13-24(25(27)16-22)21-10-8-20(9-11-21)23-14-15-26(28,29)30-17-23/h8-14,16,18-19H,2-7,15,17H2,1H3
InChIKeyGWUYQTLWXNKXFQ-UHFFFAOYSA-N
MW414.51 g/mol
LogP7.96
Rot. Bonds5

About 6,6-difluoro-3-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,5-dihydropyran

6,6-difluoro-3-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,5-dihydropyran (PubChem CID 154524200) has the molecular formula C26H29F3O and a molecular weight of 414.51 g/mol. Its IUPAC name is 6,6-difluoro-3-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,5-dihydropyran.

Molecular Properties

Compound Name6,6-difluoro-3-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,5-dihydropyran
PubChem CID154524200
Molecular FormulaC26H29F3O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name6,6-difluoro-3-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,5-dihydropyran
SMILESCCCC1CCC(c2ccc(-c3ccc(C4=CCC(F)(F)OC4)cc3)c(F)c2)CC1
InChIInChI=1S/C26H29F3O/c1-2-3-18-4-6-19(7-5-18)22-12-13-24(25(27)16-22)21-10-8-20(9-11-21)23-14-15-26(28,29)30-17-23/h8-14,16,18-19H,2-7,15,17H2,1H3
InChIKeyGWUYQTLWXNKXFQ-UHFFFAOYSA-N
XLogP7.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692
5-fluoro-2-[3-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-5-propyl-1,3-dioxane
CID 118594159
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
2-fluoro-4-[4-(3-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 23297299
CID 19080554
CID 19080554
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
2-fluoro-4-[4-(1-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 70305889
CID 19609422
CID 19609422
CID 19080569
CID 19080569
[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] propyl carbonate
CID 70483645
tris(4-(4-butylcyclohexyl)-2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]benzene);bis(4-(4-ethylcyclohexyl)-2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]benzene);tris(2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-pentylcyclohexyl)benzene);bis(2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene);methane
CID 157086367

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-3-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,5-dihydropyran?
The IUPAC name of 6,6-difluoro-3-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,5-dihydropyran (CID 154524200) is 6,6-difluoro-3-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,5-dihydropyran.
What is the SMILES notation for 6,6-difluoro-3-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,5-dihydropyran?
The canonical SMILES for 6,6-difluoro-3-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,5-dihydropyran is CCCC1CCC(c2ccc(-c3ccc(C4=CCC(F)(F)OC4)cc3)c(F)c2)CC1.
What is the InChIKey of 6,6-difluoro-3-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,5-dihydropyran?
The InChIKey is GWUYQTLWXNKXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3O/c1-2-3-18-4-6-19(7-5-18)22-12-13-24(25(27)16-22)21-10-8-20(9-11-21)23-14-15-26(28,29)30-17-23/h8-14,16,18-19H,2-7,15,17H2,1H3.
What are the key properties of 6,6-difluoro-3-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,5-dihydropyran?
6,6-difluoro-3-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,5-dihydropyran has a molecular weight of 414.51 g/mol, XLogP of 7.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-3-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,5-dihydropyran is sourced from PubChem (CID 154524200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).