1,3-difluoro-5-phenyl-2-(3-propylcyclopentyl)benzene

C20H22F2 — CID 175593221

IUPAC1,3-difluoro-5-phenyl-2-(3-propylcyclopentyl)benzene
SMILESCCCC1CCC(c2c(F)cc(-c3ccccc3)cc2F)C1
InChIInChI=1S/C20H22F2/c1-2-6-14-9-10-16(11-14)20-18(21)12-17(13-19(20)22)15-7-4-3-5-8-15/h3-5,7-8,12-14,16H,2,6,9-11H2,1H3
InChIKeyYBADIMZETPRGEI-UHFFFAOYSA-N
MW300.39 g/mol
LogP6.32
Rot. Bonds4

About 1,3-difluoro-5-phenyl-2-(3-propylcyclopentyl)benzene

1,3-difluoro-5-phenyl-2-(3-propylcyclopentyl)benzene (PubChem CID 175593221) has the molecular formula C20H22F2 and a molecular weight of 300.39 g/mol. Its IUPAC name is 1,3-difluoro-5-phenyl-2-(3-propylcyclopentyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-5-phenyl-2-(3-propylcyclopentyl)benzene
PubChem CID175593221
Molecular FormulaC20H22F2
Molecular Weight300.39 g/mol
Exact Mass300.17
IUPAC Name1,3-difluoro-5-phenyl-2-(3-propylcyclopentyl)benzene
SMILESCCCC1CCC(c2c(F)cc(-c3ccccc3)cc2F)C1
InChIInChI=1S/C20H22F2/c1-2-6-14-9-10-16(11-14)20-18(21)12-17(13-19(20)22)15-7-4-3-5-8-15/h3-5,7-8,12-14,16H,2,6,9-11H2,1H3
InChIKeyYBADIMZETPRGEI-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.39
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene
CID 58555558
2-propyl-6-[4-(3,4,5-trifluorophenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384631
(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-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
(4-propylcyclohexyl)benzene
CID 155887669
1-chloro-2-fluoro-3-(3-propylcyclopentyl)benzene
CID 166167692
2-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383228
2-[4-[4-[3,5-difluoro-4-(oxiran-2-yl)phenyl]phenyl]cyclohexyl]-5-propyloxane
CID 90179616
1-chloro-3-(4-phenylphenyl)-2-(4-propylcyclohexyl)benzene
CID 139710983
1,3-difluoro-2-(methoxymethyl)-5-[2-(4-propylcyclohexyl)phenyl]benzene
CID 67571251
2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22385286
1,3-difluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 147843126

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-phenyl-2-(3-propylcyclopentyl)benzene?
The IUPAC name of 1,3-difluoro-5-phenyl-2-(3-propylcyclopentyl)benzene (CID 175593221) is 1,3-difluoro-5-phenyl-2-(3-propylcyclopentyl)benzene.
What is the SMILES notation for 1,3-difluoro-5-phenyl-2-(3-propylcyclopentyl)benzene?
The canonical SMILES for 1,3-difluoro-5-phenyl-2-(3-propylcyclopentyl)benzene is CCCC1CCC(c2c(F)cc(-c3ccccc3)cc2F)C1.
What is the InChIKey of 1,3-difluoro-5-phenyl-2-(3-propylcyclopentyl)benzene?
The InChIKey is YBADIMZETPRGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2/c1-2-6-14-9-10-16(11-14)20-18(21)12-17(13-19(20)22)15-7-4-3-5-8-15/h3-5,7-8,12-14,16H,2,6,9-11H2,1H3.
What are the key properties of 1,3-difluoro-5-phenyl-2-(3-propylcyclopentyl)benzene?
1,3-difluoro-5-phenyl-2-(3-propylcyclopentyl)benzene has a molecular weight of 300.39 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-phenyl-2-(3-propylcyclopentyl)benzene is sourced from PubChem (CID 175593221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).