1,3-difluoro-5-[2-[4-(3-methylidenepentyl)cyclohexyl]phenyl]-2-(trifluoromethyl)benzene

C25H27F5 — CID 22131655

IUPAC1,3-difluoro-5-[2-[4-(3-methylidenepentyl)cyclohexyl]phenyl]-2-(trifluoromethyl)benzene
SMILESC=C(CC)CCC1CCC(c2ccccc2-c2cc(F)c(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C25H27F5/c1-3-16(2)8-9-17-10-12-18(13-11-17)20-6-4-5-7-21(20)19-14-22(26)24(23(27)15-19)25(28,29)30/h4-7,14-15,17-18H,2-3,8-13H2,1H3
InChIKeyGEGQDZITUNLFQX-UHFFFAOYSA-N
MW422.48 g/mol
LogP8.67
Rot. Bonds6

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

1,3-difluoro-5-[2-[4-(3-methylidenepentyl)cyclohexyl]phenyl]-2-(trifluoromethyl)benzene (PubChem CID 22131655) has the molecular formula C25H27F5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 1,3-difluoro-5-[2-[4-(3-methylidenepentyl)cyclohexyl]phenyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-5-[2-[4-(3-methylidenepentyl)cyclohexyl]phenyl]-2-(trifluoromethyl)benzene
PubChem CID22131655
Molecular FormulaC25H27F5
Molecular Weight422.48 g/mol
Exact Mass422.20
IUPAC Name1,3-difluoro-5-[2-[4-(3-methylidenepentyl)cyclohexyl]phenyl]-2-(trifluoromethyl)benzene
SMILESC=C(CC)CCC1CCC(c2ccccc2-c2cc(F)c(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C25H27F5/c1-3-16(2)8-9-17-10-12-18(13-11-17)20-6-4-5-7-21(20)19-14-22(26)24(23(27)15-19)25(28,29)30/h4-7,14-15,17-18H,2-3,8-13H2,1H3
InChIKeyGEGQDZITUNLFQX-UHFFFAOYSA-N
XLogP8.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-[2-[4-(3-methylidenepentyl)cyclohexyl]phenyl]-1-(trifluoromethyl)benzene
CID 22131663
1,3-difluoro-2-(methoxymethyl)-5-[2-(4-propylcyclohexyl)phenyl]benzene
CID 67571251
5-[2-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 22883425
1,3-difluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 147843126
2-fluoro-1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)phenyl]benzene
CID 67571729
5-[4-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 88998813
1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene
CID 58555558
1-[4-(3-methylidenepentyl)cyclohexyl]-4-[4-(trifluoromethoxy)phenyl]benzene
CID 22131651
1,3-difluoro-5-[2-fluoro-4-[4-(3-methylpentyl)cyclohexyl]phenyl]-2-(trifluoromethyl)benzene
CID 19702520
1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene
CID 118846513
(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
2,3-difluoro-1-(4-propylcyclohexyl)-4-(3,4,5-trifluorophenyl)benzene
CID 118593448

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[2-[4-(3-methylidenepentyl)cyclohexyl]phenyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 1,3-difluoro-5-[2-[4-(3-methylidenepentyl)cyclohexyl]phenyl]-2-(trifluoromethyl)benzene (CID 22131655) is 1,3-difluoro-5-[2-[4-(3-methylidenepentyl)cyclohexyl]phenyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1,3-difluoro-5-[2-[4-(3-methylidenepentyl)cyclohexyl]phenyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1,3-difluoro-5-[2-[4-(3-methylidenepentyl)cyclohexyl]phenyl]-2-(trifluoromethyl)benzene is C=C(CC)CCC1CCC(c2ccccc2-c2cc(F)c(C(F)(F)F)c(F)c2)CC1.
What is the InChIKey of 1,3-difluoro-5-[2-[4-(3-methylidenepentyl)cyclohexyl]phenyl]-2-(trifluoromethyl)benzene?
The InChIKey is GEGQDZITUNLFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F5/c1-3-16(2)8-9-17-10-12-18(13-11-17)20-6-4-5-7-21(20)19-14-22(26)24(23(27)15-19)25(28,29)30/h4-7,14-15,17-18H,2-3,8-13H2,1H3.
What are the key properties of 1,3-difluoro-5-[2-[4-(3-methylidenepentyl)cyclohexyl]phenyl]-2-(trifluoromethyl)benzene?
1,3-difluoro-5-[2-[4-(3-methylidenepentyl)cyclohexyl]phenyl]-2-(trifluoromethyl)benzene has a molecular weight of 422.48 g/mol, XLogP of 8.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-[2-[4-(3-methylidenepentyl)cyclohexyl]phenyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 22131655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).