1,3-difluoro-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-(4-propylcyclohexyl)benzene

C23H31F3 — CID 18979654

IUPAC1,3-difluoro-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2cc(F)c(CCC3CC=C(F)CC3)c(F)c2)CC1
InChIInChI=1S/C23H31F3/c1-2-3-16-4-9-18(10-5-16)19-14-22(25)21(23(26)15-19)13-8-17-6-11-20(24)12-7-17/h11,14-18H,2-10,12-13H2,1H3
InChIKeyGKRHVSOGEGSRQR-UHFFFAOYSA-N
MW364.50 g/mol
LogP7.62
Rot. Bonds6

About 1,3-difluoro-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-(4-propylcyclohexyl)benzene

1,3-difluoro-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-(4-propylcyclohexyl)benzene (PubChem CID 18979654) has the molecular formula C23H31F3 and a molecular weight of 364.50 g/mol. Its IUPAC name is 1,3-difluoro-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-(4-propylcyclohexyl)benzene
PubChem CID18979654
Molecular FormulaC23H31F3
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC Name1,3-difluoro-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2cc(F)c(CCC3CC=C(F)CC3)c(F)c2)CC1
InChIInChI=1S/C23H31F3/c1-2-3-16-4-9-18(10-5-16)19-14-22(25)21(23(26)15-19)13-8-17-6-11-20(24)12-7-17/h11,14-18H,2-10,12-13H2,1H3
InChIKeyGKRHVSOGEGSRQR-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.50
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67847934
2-[difluoro(iodo)methyl]-1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 20654197
1,3-difluoro-2-(fluoromethyl)-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 70821004
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline
CID 22731669
1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 71202451
2-(difluoromethyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 15041745
2-(4-fluorocyclohex-3-en-1-yl)ethanamine
CID 146528576
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene
CID 18681375
2-[4-[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867301
1,3-difluoro-2-[(2R)-2-(2-fluoro-4-propylphenyl)propyl]-5-(4-propylcyclohexyl)benzene
CID 139753518
2-[chloro(difluoro)methyl]-1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20654099

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-(4-propylcyclohexyl)benzene?
The IUPAC name of 1,3-difluoro-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-(4-propylcyclohexyl)benzene (CID 18979654) is 1,3-difluoro-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1,3-difluoro-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1,3-difluoro-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-(4-propylcyclohexyl)benzene is CCCC1CCC(c2cc(F)c(CCC3CC=C(F)CC3)c(F)c2)CC1.
What is the InChIKey of 1,3-difluoro-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-(4-propylcyclohexyl)benzene?
The InChIKey is GKRHVSOGEGSRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3/c1-2-3-16-4-9-18(10-5-16)19-14-22(25)21(23(26)15-19)13-8-17-6-11-20(24)12-7-17/h11,14-18H,2-10,12-13H2,1H3.
What are the key properties of 1,3-difluoro-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-(4-propylcyclohexyl)benzene?
1,3-difluoro-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-(4-propylcyclohexyl)benzene has a molecular weight of 364.50 g/mol, XLogP of 7.62, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 18979654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).