2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene

C31H42F2 — CID 21265276

IUPAC2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
SMILESCCCC1CCC(C2CCC(CCc3ccc(-c4ccc(CCF)cc4)cc3F)CC2)CC1
InChIInChI=1S/C31H42F2/c1-2-3-23-4-11-26(12-5-23)27-13-6-24(7-14-27)10-17-29-18-19-30(22-31(29)33)28-15-8-25(9-16-28)20-21-32/h8-9,15-16,18-19,22-24,26-27H,2-7,10-14,17,20-21H2,1H3
InChIKeyAPXSIALATCAGNB-UHFFFAOYSA-N
MW452.67 g/mol
LogP9.35
Rot. Bonds9

About 2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene

2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene (PubChem CID 21265276) has the molecular formula C31H42F2 and a molecular weight of 452.67 g/mol. Its IUPAC name is 2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
PubChem CID21265276
Molecular FormulaC31H42F2
Molecular Weight452.67 g/mol
Exact Mass452.33
IUPAC Name2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
SMILESCCCC1CCC(C2CCC(CCc3ccc(-c4ccc(CCF)cc4)cc3F)CC2)CC1
InChIInChI=1S/C31H42F2/c1-2-3-23-4-11-26(12-5-23)27-13-6-24(7-14-27)10-17-29-18-19-30(22-31(29)33)28-15-8-25(9-16-28)20-21-32/h8-9,15-16,18-19,22-24,26-27H,2-7,10-14,17,20-21H2,1H3
InChIKeyAPXSIALATCAGNB-UHFFFAOYSA-N
XLogP9.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.67
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene with MolForge

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Related Compounds

2-fluoro-4-(4-pentylphenyl)-1-[2-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexyl]ethyl]benzene
CID 123987022
1-[difluoro(trifluoromethoxy)methyl]-2-fluoro-4-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 90180053
2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene
CID 154607322
5-[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]phenyl]-1,3-difluoro-2-(fluoromethyl)benzene
CID 70820995
CID 20632338
CID 20632338
1-chloro-2-fluoro-4-(4-fluorophenyl)benzene;1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 158500295
1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene
CID 172817862
4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene
CID 139608148
3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine
CID 67787578
1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 54416262
1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-(4-ethylphenyl)-2-fluoro-4-(4-propylphenyl)benzene
CID 144658300

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene?
The IUPAC name of 2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene (CID 21265276) is 2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene.
What is the SMILES notation for 2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene?
The canonical SMILES for 2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene is CCCC1CCC(C2CCC(CCc3ccc(-c4ccc(CCF)cc4)cc3F)CC2)CC1.
What is the InChIKey of 2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene?
The InChIKey is APXSIALATCAGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42F2/c1-2-3-23-4-11-26(12-5-23)27-13-6-24(7-14-27)10-17-29-18-19-30(22-31(29)33)28-15-8-25(9-16-28)20-21-32/h8-9,15-16,18-19,22-24,26-27H,2-7,10-14,17,20-21H2,1H3.
What are the key properties of 2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene?
2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene has a molecular weight of 452.67 g/mol, XLogP of 9.35, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene is sourced from PubChem (CID 21265276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).