5-[2-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene

C29H27F7O — CID 22883425

IUPAC5-[2-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
SMILESCCCC1CCC(c2ccc(C(F)(F)Oc3ccccc3-c3cc(F)c(C(F)(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C29H27F7O/c1-2-5-18-8-10-19(11-9-18)20-12-14-22(15-13-20)29(35,36)37-26-7-4-3-6-23(26)21-16-24(30)27(25(31)17-21)28(32,33)34/h3-4,6-7,12-19H,2,5,8-11H2,1H3
InChIKeyQTGRGFFXEWZKCK-UHFFFAOYSA-N
MW524.52 g/mol
LogP9.85
Rot. Bonds7

About 5-[2-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene

5-[2-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene (PubChem CID 22883425) has the molecular formula C29H27F7O and a molecular weight of 524.52 g/mol. Its IUPAC name is 5-[2-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-[2-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
PubChem CID22883425
Molecular FormulaC29H27F7O
Molecular Weight524.52 g/mol
Exact Mass524.20
IUPAC Name5-[2-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
SMILESCCCC1CCC(c2ccc(C(F)(F)Oc3ccccc3-c3cc(F)c(C(F)(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C29H27F7O/c1-2-5-18-8-10-19(11-9-18)20-12-14-22(15-13-20)29(35,36)37-26-7-4-3-6-23(26)21-16-24(30)27(25(31)17-21)28(32,33)34/h3-4,6-7,12-19H,2,5,8-11H2,1H3
InChIKeyQTGRGFFXEWZKCK-UHFFFAOYSA-N
XLogP9.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.52
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[2-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]phenyl]-1,2,3-trifluorobenzene
CID 22883418
1,3-difluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 147843126
1-(difluoromethoxy)-4-[2-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]phenyl]-2-fluorobenzene
CID 22941265
1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-methoxy-2,3-bis(trifluoromethyl)benzene
CID 20750897
5-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,3-trifluorobenzene
CID 70176343
1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-4-propylcycloheptane
CID 118360369
1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene
CID 58555558
1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene
CID 19064157
(2R,4aR,8aR)-2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809342
1-[tert-butylperoxy(difluoro)methyl]-4-(4-propylcyclohexyl)benzene
CID 10172158
4-[[4-(4-butylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethyl)benzene;4-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-2-fluoro-1-(trifluoromethyl)benzene;methane
CID 160811694
1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene
CID 153454405

Frequently Asked Questions

What is the IUPAC name of 5-[2-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 5-[2-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene (CID 22883425) is 5-[2-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 5-[2-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 5-[2-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene is CCCC1CCC(c2ccc(C(F)(F)Oc3ccccc3-c3cc(F)c(C(F)(F)F)c(F)c3)cc2)CC1.
What is the InChIKey of 5-[2-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene?
The InChIKey is QTGRGFFXEWZKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F7O/c1-2-5-18-8-10-19(11-9-18)20-12-14-22(15-13-20)29(35,36)37-26-7-4-3-6-23(26)21-16-24(30)27(25(31)17-21)28(32,33)34/h3-4,6-7,12-19H,2,5,8-11H2,1H3.
What are the key properties of 5-[2-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene?
5-[2-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene has a molecular weight of 524.52 g/mol, XLogP of 9.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 22883425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).