1,3-difluoro-6-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)naphthalene

C26H25F5 — CID 139856331

IUPAC1,3-difluoro-6-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)naphthalene
SMILESCCCC1CCC(c2ccc(-c3ccc4c(F)c(C(F)(F)F)c(F)cc4c3)cc2)CC1
InChIInChI=1S/C26H25F5/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-13-22-21(14-20)15-23(27)24(25(22)28)26(29,30)31/h8-17H,2-7H2,1H3
InChIKeyJXXRRCZWBGWUII-UHFFFAOYSA-N
MW432.48 g/mol
LogP8.88
Rot. Bonds4

About 1,3-difluoro-6-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)naphthalene

1,3-difluoro-6-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)naphthalene (PubChem CID 139856331) has the molecular formula C26H25F5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 1,3-difluoro-6-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name1,3-difluoro-6-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)naphthalene
PubChem CID139856331
Molecular FormulaC26H25F5
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name1,3-difluoro-6-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)naphthalene
SMILESCCCC1CCC(c2ccc(-c3ccc4c(F)c(C(F)(F)F)c(F)cc4c3)cc2)CC1
InChIInChI=1S/C26H25F5/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-13-22-21(14-20)15-23(27)24(25(22)28)26(29,30)31/h8-17H,2-7H2,1H3
InChIKeyJXXRRCZWBGWUII-UHFFFAOYSA-N
XLogP8.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-[2,6-difluoro-4-(4-heptylcyclohexyl)phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene
CID 139856611
1,3-difluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 147843126
1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene
CID 58555558
6-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3-difluoro-2-(trifluoromethyl)naphthalene
CID 22383155
1,3-difluoro-6-(4-propylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855248
(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
1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 59247002
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
1,3-difluoro-6-(4-pentylphenyl)-2-(trifluoromethyl)naphthalene
CID 139855742
2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene
CID 58840172
1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-4-propylcycloheptane
CID 118360369
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene;ethane
CID 144714438

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-6-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)naphthalene?
The IUPAC name of 1,3-difluoro-6-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)naphthalene (CID 139856331) is 1,3-difluoro-6-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)naphthalene.
What is the SMILES notation for 1,3-difluoro-6-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)naphthalene?
The canonical SMILES for 1,3-difluoro-6-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)naphthalene is CCCC1CCC(c2ccc(-c3ccc4c(F)c(C(F)(F)F)c(F)cc4c3)cc2)CC1.
What is the InChIKey of 1,3-difluoro-6-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)naphthalene?
The InChIKey is JXXRRCZWBGWUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F5/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-13-22-21(14-20)15-23(27)24(25(22)28)26(29,30)31/h8-17H,2-7H2,1H3.
What are the key properties of 1,3-difluoro-6-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)naphthalene?
1,3-difluoro-6-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)naphthalene has a molecular weight of 432.48 g/mol, XLogP of 8.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-6-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)naphthalene is sourced from PubChem (CID 139856331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).