2,4-difluoro-1-[[4-(4-propylcyclohexyl)phenoxy]methyl]benzene

C22H26F2O — CID 67807199

IUPAC2,4-difluoro-1-[[4-(4-propylcyclohexyl)phenoxy]methyl]benzene
SMILESCCCC1CCC(c2ccc(OCc3ccc(F)cc3F)cc2)CC1
InChIInChI=1S/C22H26F2O/c1-2-3-16-4-6-17(7-5-16)18-9-12-21(13-10-18)25-15-19-8-11-20(23)14-22(19)24/h8-14,16-17H,2-7,15H2,1H3
InChIKeyXOJFRCTXMWXVAD-UHFFFAOYSA-N
MW344.45 g/mol
LogP6.62
Rot. Bonds6

About 2,4-difluoro-1-[[4-(4-propylcyclohexyl)phenoxy]methyl]benzene

2,4-difluoro-1-[[4-(4-propylcyclohexyl)phenoxy]methyl]benzene (PubChem CID 67807199) has the molecular formula C22H26F2O and a molecular weight of 344.45 g/mol. Its IUPAC name is 2,4-difluoro-1-[[4-(4-propylcyclohexyl)phenoxy]methyl]benzene.

Molecular Properties

Compound Name2,4-difluoro-1-[[4-(4-propylcyclohexyl)phenoxy]methyl]benzene
PubChem CID67807199
Molecular FormulaC22H26F2O
Molecular Weight344.45 g/mol
Exact Mass344.20
IUPAC Name2,4-difluoro-1-[[4-(4-propylcyclohexyl)phenoxy]methyl]benzene
SMILESCCCC1CCC(c2ccc(OCc3ccc(F)cc3F)cc2)CC1
InChIInChI=1S/C22H26F2O/c1-2-3-16-4-6-17(7-5-16)18-9-12-21(13-10-18)25-15-19-8-11-20(23)14-22(19)24/h8-14,16-17H,2-7,15H2,1H3
InChIKeyXOJFRCTXMWXVAD-UHFFFAOYSA-N
XLogP6.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene
CID 22440333
tris[4-(4-propylcyclohexyl)phenyl] borate
CID 140819845
1-[[4-(4-ethylcyclohexyl)phenoxy]methyl]-2,3,4-trifluorobenzene
CID 54334735
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
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
4-[[4-(4-butylcyclohexyl)phenoxy]methyl]-1,2-difluorobenzene
CID 67799683
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane
CID 88523486
4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine
CID 58289319
1,2-difluoro-4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene
CID 67797912
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-[[4-(4-propylcyclohexyl)phenoxy]methyl]benzene?
The IUPAC name of 2,4-difluoro-1-[[4-(4-propylcyclohexyl)phenoxy]methyl]benzene (CID 67807199) is 2,4-difluoro-1-[[4-(4-propylcyclohexyl)phenoxy]methyl]benzene.
What is the SMILES notation for 2,4-difluoro-1-[[4-(4-propylcyclohexyl)phenoxy]methyl]benzene?
The canonical SMILES for 2,4-difluoro-1-[[4-(4-propylcyclohexyl)phenoxy]methyl]benzene is CCCC1CCC(c2ccc(OCc3ccc(F)cc3F)cc2)CC1.
What is the InChIKey of 2,4-difluoro-1-[[4-(4-propylcyclohexyl)phenoxy]methyl]benzene?
The InChIKey is XOJFRCTXMWXVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2O/c1-2-3-16-4-6-17(7-5-16)18-9-12-21(13-10-18)25-15-19-8-11-20(23)14-22(19)24/h8-14,16-17H,2-7,15H2,1H3.
What are the key properties of 2,4-difluoro-1-[[4-(4-propylcyclohexyl)phenoxy]methyl]benzene?
2,4-difluoro-1-[[4-(4-propylcyclohexyl)phenoxy]methyl]benzene has a molecular weight of 344.45 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-[[4-(4-propylcyclohexyl)phenoxy]methyl]benzene is sourced from PubChem (CID 67807199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).