2-fluoro-1-[2-[3-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene

C26H28F8O — CID 22080309

IUPAC2-fluoro-1-[2-[3-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(CCc3ccc(OC(F)(F)C(F)C(F)(F)F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C26H28F8O/c1-2-3-16-4-8-18(9-5-16)20-12-11-19(21(27)15-20)10-6-17-7-13-23(22(28)14-17)35-26(33,34)24(29)25(30,31)32/h7,11-16,18,24H,2-6,8-10H2,1H3
InChIKeyYCNVPKPPRMZKGF-UHFFFAOYSA-N
MW508.49 g/mol
LogP8.70
Rot. Bonds9

About 2-fluoro-1-[2-[3-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene

2-fluoro-1-[2-[3-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene (PubChem CID 22080309) has the molecular formula C26H28F8O and a molecular weight of 508.49 g/mol. Its IUPAC name is 2-fluoro-1-[2-[3-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-[2-[3-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene
PubChem CID22080309
Molecular FormulaC26H28F8O
Molecular Weight508.49 g/mol
Exact Mass508.20
IUPAC Name2-fluoro-1-[2-[3-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(CCc3ccc(OC(F)(F)C(F)C(F)(F)F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C26H28F8O/c1-2-3-16-4-8-18(9-5-16)20-12-11-19(21(27)15-20)10-6-17-7-13-23(22(28)14-17)35-26(33,34)24(29)25(30,31)32/h7,11-16,18,24H,2-6,8-10H2,1H3
InChIKeyYCNVPKPPRMZKGF-UHFFFAOYSA-N
XLogP8.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.49
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene
CID 19366440
2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)-4-(4-pentylcyclohexyl)benzene
CID 22080156
2,3-difluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118858776
2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[2-[4-(4-pentylphenyl)cyclohexyl]ethyl]phenyl]benzene
CID 22080455
4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)benzene
CID 22080372
2-fluoro-1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139656988
1,3-difluoro-2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-5-(4-propylcyclohexyl)benzene
CID 22080320
4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzene
CID 54522843
2-fluoro-1-(1,1,2,2,3,3-hexafluoropropoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 22080061
2-fluoro-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-4-(4-hexylcyclohexyl)benzene
CID 22437512
2-fluoro-1-[2-[2-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethoxy]ethyl]-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 140976227
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene
CID 22080079

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[2-[3-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 2-fluoro-1-[2-[3-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene (CID 22080309) is 2-fluoro-1-[2-[3-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 2-fluoro-1-[2-[3-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 2-fluoro-1-[2-[3-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(CCc3ccc(OC(F)(F)C(F)C(F)(F)F)c(F)c3)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-1-[2-[3-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene?
The InChIKey is YCNVPKPPRMZKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F8O/c1-2-3-16-4-8-18(9-5-16)20-12-11-19(21(27)15-20)10-6-17-7-13-23(22(28)14-17)35-26(33,34)24(29)25(30,31)32/h7,11-16,18,24H,2-6,8-10H2,1H3.
What are the key properties of 2-fluoro-1-[2-[3-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene?
2-fluoro-1-[2-[3-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene has a molecular weight of 508.49 g/mol, XLogP of 8.70, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[2-[3-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 22080309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).