1-[4-(3-butylcyclopentyl)phenyl]-2,3-difluoro-4-propylbenzene

C24H30F2 — CID 58555640

IUPAC1-[4-(3-butylcyclopentyl)phenyl]-2,3-difluoro-4-propylbenzene
SMILESCCCCC1CCC(c2ccc(-c3ccc(CCC)c(F)c3F)cc2)C1
InChIInChI=1S/C24H30F2/c1-3-5-7-17-8-9-21(16-17)18-10-12-19(13-11-18)22-15-14-20(6-4-2)23(25)24(22)26/h10-15,17,21H,3-9,16H2,1-2H3
InChIKeyHBIBGFKARBJKTC-UHFFFAOYSA-N
MW356.50 g/mol
LogP7.66
Rot. Bonds7

About 1-[4-(3-butylcyclopentyl)phenyl]-2,3-difluoro-4-propylbenzene

1-[4-(3-butylcyclopentyl)phenyl]-2,3-difluoro-4-propylbenzene (PubChem CID 58555640) has the molecular formula C24H30F2 and a molecular weight of 356.50 g/mol. Its IUPAC name is 1-[4-(3-butylcyclopentyl)phenyl]-2,3-difluoro-4-propylbenzene.

Molecular Properties

Compound Name1-[4-(3-butylcyclopentyl)phenyl]-2,3-difluoro-4-propylbenzene
PubChem CID58555640
Molecular FormulaC24H30F2
Molecular Weight356.50 g/mol
Exact Mass356.23
IUPAC Name1-[4-(3-butylcyclopentyl)phenyl]-2,3-difluoro-4-propylbenzene
SMILESCCCCC1CCC(c2ccc(-c3ccc(CCC)c(F)c3F)cc2)C1
InChIInChI=1S/C24H30F2/c1-3-5-7-17-8-9-21(16-17)18-10-12-19(13-11-18)22-15-14-20(6-4-2)23(25)24(22)26/h10-15,17,21H,3-9,16H2,1-2H3
InChIKeyHBIBGFKARBJKTC-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.50
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-(4-butylcyclohexyl)phenyl]-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 118912527
1,2,8-trifluoro-3-[4-(4-pentylcyclohexyl)phenyl]-7-propylnaphthalene
CID 139860768
1-butyl-4-[4-[2,3-difluoro-4-(4-heptylcyclohexyl)phenyl]phenyl]-2,3-difluorobenzene
CID 67730689
2,3-difluoro-1-propyl-4-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]benzene
CID 154607212
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene
CID 67729720
1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene
CID 59874072
2,3-difluoro-1-[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]ethyl]-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 118859045
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730642
1-[4-[2,3-difluoro-4-[4-(4-heptylcyclohexyl)cyclohexyl]phenyl]phenyl]-2,3-difluoro-4-pentylbenzene
CID 67738242
(2R,4aR,8aR)-2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809263
2,3-difluoro-1-[2-(4-heptylcyclohexyl)ethyl]-4-(4-heptylphenyl)benzene
CID 67895821
2-(difluoromethyl)-1-ethyl-3-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 58953294

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-butylcyclopentyl)phenyl]-2,3-difluoro-4-propylbenzene?
The IUPAC name of 1-[4-(3-butylcyclopentyl)phenyl]-2,3-difluoro-4-propylbenzene (CID 58555640) is 1-[4-(3-butylcyclopentyl)phenyl]-2,3-difluoro-4-propylbenzene.
What is the SMILES notation for 1-[4-(3-butylcyclopentyl)phenyl]-2,3-difluoro-4-propylbenzene?
The canonical SMILES for 1-[4-(3-butylcyclopentyl)phenyl]-2,3-difluoro-4-propylbenzene is CCCCC1CCC(c2ccc(-c3ccc(CCC)c(F)c3F)cc2)C1.
What is the InChIKey of 1-[4-(3-butylcyclopentyl)phenyl]-2,3-difluoro-4-propylbenzene?
The InChIKey is HBIBGFKARBJKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2/c1-3-5-7-17-8-9-21(16-17)18-10-12-19(13-11-18)22-15-14-20(6-4-2)23(25)24(22)26/h10-15,17,21H,3-9,16H2,1-2H3.
What are the key properties of 1-[4-(3-butylcyclopentyl)phenyl]-2,3-difluoro-4-propylbenzene?
1-[4-(3-butylcyclopentyl)phenyl]-2,3-difluoro-4-propylbenzene has a molecular weight of 356.50 g/mol, XLogP of 7.66, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-butylcyclopentyl)phenyl]-2,3-difluoro-4-propylbenzene is sourced from PubChem (CID 58555640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).