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

C25H26F8O2 — CID 20750897

IUPAC1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-methoxy-2,3-bis(trifluoromethyl)benzene
SMILESCCCC1CCC(c2ccc(C(F)(F)Oc3ccc(OC)c(C(F)(F)F)c3C(F)(F)F)cc2)CC1
InChIInChI=1S/C25H26F8O2/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)25(32,33)35-20-14-13-19(34-2)21(23(26,27)28)22(20)24(29,30)31/h9-16H,3-8H2,1-2H3
InChIKeyFNHHKTRSVVRWCJ-UHFFFAOYSA-N
MW510.47 g/mol
LogP8.94
Rot. Bonds7

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

1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-methoxy-2,3-bis(trifluoromethyl)benzene (PubChem CID 20750897) has the molecular formula C25H26F8O2 and a molecular weight of 510.47 g/mol. Its IUPAC name is 1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-methoxy-2,3-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-methoxy-2,3-bis(trifluoromethyl)benzene
PubChem CID20750897
Molecular FormulaC25H26F8O2
Molecular Weight510.47 g/mol
Exact Mass510.18
IUPAC Name1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-methoxy-2,3-bis(trifluoromethyl)benzene
SMILESCCCC1CCC(c2ccc(C(F)(F)Oc3ccc(OC)c(C(F)(F)F)c3C(F)(F)F)cc2)CC1
InChIInChI=1S/C25H26F8O2/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)25(32,33)35-20-14-13-19(34-2)21(23(26,27)28)22(20)24(29,30)31/h9-16H,3-8H2,1-2H3
InChIKeyFNHHKTRSVVRWCJ-UHFFFAOYSA-N
XLogP8.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.47
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methoxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-(4-propylcyclohexyl)cyclohexyl]benzoate
CID 20750984
5-[2-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 22883425
1-[tert-butylperoxy(difluoro)methyl]-4-(4-propylcyclohexyl)benzene
CID 10172158
1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene
CID 19064157
1-[difluoro-[4-(4-propylcyclohexyl)cyclohexen-1-yl]methoxy]-4-methoxy-2,3-bis(trifluoromethyl)benzene
CID 20750892
1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene
CID 153454405
5-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,3-trifluorobenzene
CID 70176343
1-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-4-ethyl-2,3-difluorobenzene
CID 20705608
2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene
CID 20500274
1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]-2,3-bis(trifluoromethyl)benzene
CID 154519551
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
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

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-methoxy-2,3-bis(trifluoromethyl)benzene?
The IUPAC name of 1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-methoxy-2,3-bis(trifluoromethyl)benzene (CID 20750897) is 1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-methoxy-2,3-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-methoxy-2,3-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-methoxy-2,3-bis(trifluoromethyl)benzene is CCCC1CCC(c2ccc(C(F)(F)Oc3ccc(OC)c(C(F)(F)F)c3C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-methoxy-2,3-bis(trifluoromethyl)benzene?
The InChIKey is FNHHKTRSVVRWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F8O2/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)25(32,33)35-20-14-13-19(34-2)21(23(26,27)28)22(20)24(29,30)31/h9-16H,3-8H2,1-2H3.
What are the key properties of 1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-methoxy-2,3-bis(trifluoromethyl)benzene?
1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-methoxy-2,3-bis(trifluoromethyl)benzene has a molecular weight of 510.47 g/mol, XLogP of 8.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-methoxy-2,3-bis(trifluoromethyl)benzene is sourced from PubChem (CID 20750897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).