1,3-difluorobenzene;1-[4-(2-fluoroethyl)cyclohexyl]-4-propylbenzene

C23H29F3 — CID 160914684

IUPAC1,3-difluorobenzene;1-[4-(2-fluoroethyl)cyclohexyl]-4-propylbenzene
SMILESCCCc1ccc(C2CCC(CCF)CC2)cc1.Fc1cccc(F)c1
InChIInChI=1S/C17H25F.C6H4F2/c1-2-3-14-4-8-16(9-5-14)17-10-6-15(7-11-17)12-13-18;7-5-2-1-3-6(8)4-5/h4-5,8-9,15,17H,2-3,6-7,10-13H2,1H3;1-4H
InChIKeySRGBGGNKAYJJKO-UHFFFAOYSA-N
MW362.48 g/mol
LogP7.24
Rot. Bonds5

About 1,3-difluorobenzene;1-[4-(2-fluoroethyl)cyclohexyl]-4-propylbenzene

1,3-difluorobenzene;1-[4-(2-fluoroethyl)cyclohexyl]-4-propylbenzene (PubChem CID 160914684) has the molecular formula C23H29F3 and a molecular weight of 362.48 g/mol. Its IUPAC name is 1,3-difluorobenzene;1-[4-(2-fluoroethyl)cyclohexyl]-4-propylbenzene.

Molecular Properties

Compound Name1,3-difluorobenzene;1-[4-(2-fluoroethyl)cyclohexyl]-4-propylbenzene
PubChem CID160914684
Molecular FormulaC23H29F3
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name1,3-difluorobenzene;1-[4-(2-fluoroethyl)cyclohexyl]-4-propylbenzene
SMILESCCCc1ccc(C2CCC(CCF)CC2)cc1.Fc1cccc(F)c1
InChIInChI=1S/C17H25F.C6H4F2/c1-2-3-14-4-8-16(9-5-14)17-10-6-15(7-11-17)12-13-18;7-5-2-1-3-6(8)4-5/h4-5,8-9,15,17H,2-3,6-7,10-13H2,1H3;1-4H
InChIKeySRGBGGNKAYJJKO-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 160926873
2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18344256
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene
CID 54484505
1-[4-(4-fluorobutyl)cyclohexyl]-4-[2-[4-(4-hexylcyclohexyl)phenyl]ethyl]benzene
CID 21265220
1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene
CID 139725252
1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374
1-(4-heptylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20538985
2-[4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-5-(4-propylphenyl)pyrimidine
CID 70226750
1-fluoro-3-[4-(4-fluorobutyl)cyclohexyl]benzene
CID 20663504
4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile
CID 67894424

Frequently Asked Questions

What is the IUPAC name of 1,3-difluorobenzene;1-[4-(2-fluoroethyl)cyclohexyl]-4-propylbenzene?
The IUPAC name of 1,3-difluorobenzene;1-[4-(2-fluoroethyl)cyclohexyl]-4-propylbenzene (CID 160914684) is 1,3-difluorobenzene;1-[4-(2-fluoroethyl)cyclohexyl]-4-propylbenzene.
What is the SMILES notation for 1,3-difluorobenzene;1-[4-(2-fluoroethyl)cyclohexyl]-4-propylbenzene?
The canonical SMILES for 1,3-difluorobenzene;1-[4-(2-fluoroethyl)cyclohexyl]-4-propylbenzene is CCCc1ccc(C2CCC(CCF)CC2)cc1.Fc1cccc(F)c1.
What is the InChIKey of 1,3-difluorobenzene;1-[4-(2-fluoroethyl)cyclohexyl]-4-propylbenzene?
The InChIKey is SRGBGGNKAYJJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F.C6H4F2/c1-2-3-14-4-8-16(9-5-14)17-10-6-15(7-11-17)12-13-18;7-5-2-1-3-6(8)4-5/h4-5,8-9,15,17H,2-3,6-7,10-13H2,1H3;1-4H.
What are the key properties of 1,3-difluorobenzene;1-[4-(2-fluoroethyl)cyclohexyl]-4-propylbenzene?
1,3-difluorobenzene;1-[4-(2-fluoroethyl)cyclohexyl]-4-propylbenzene has a molecular weight of 362.48 g/mol, XLogP of 7.24, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluorobenzene;1-[4-(2-fluoroethyl)cyclohexyl]-4-propylbenzene is sourced from PubChem (CID 160914684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).