1-[difluoro-(4-propylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene

C17H22F4O — CID 20576292

IUPAC1-[difluoro-(4-propylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene
SMILESCCCC1CCC(OC(F)(F)c2ccc(C)c(F)c2F)CC1
InChIInChI=1S/C17H22F4O/c1-3-4-12-6-8-13(9-7-12)22-17(20,21)14-10-5-11(2)15(18)16(14)19/h5,10,12-13H,3-4,6-9H2,1-2H3
InChIKeyLDVJSIFGMHEOSY-UHFFFAOYSA-N
MW318.35 g/mol
LogP5.70
Rot. Bonds5

About 1-[difluoro-(4-propylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene

1-[difluoro-(4-propylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene (PubChem CID 20576292) has the molecular formula C17H22F4O and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-[difluoro-(4-propylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[difluoro-(4-propylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene
PubChem CID20576292
Molecular FormulaC17H22F4O
Molecular Weight318.35 g/mol
Exact Mass318.16
IUPAC Name1-[difluoro-(4-propylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene
SMILESCCCC1CCC(OC(F)(F)c2ccc(C)c(F)c2F)CC1
InChIInChI=1S/C17H22F4O/c1-3-4-12-6-8-13(9-7-12)22-17(20,21)14-10-5-11(2)15(18)16(14)19/h5,10,12-13H,3-4,6-9H2,1-2H3
InChIKeyLDVJSIFGMHEOSY-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.35
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[difluoro-[4-(3-fluoropropyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene
CID 20576240
1-[difluoro-(4-methylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene
CID 20705610
2-[4-[[4-(1,1-dichloropropyl)cyclohexyl]oxy-difluoromethyl]-2,3-difluorophenyl]-5-(4-propylcyclohexyl)pyrimidine
CID 20576307
1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2,3-difluorobenzene
CID 143772822
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63455741
1-[(3,4-difluorophenoxy)-difluoromethyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 118604522
2,3-difluoro-1-[[1-fluoro-4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-methylbenzene
CID 138717450
1-[difluoro-[4-(fluoromethyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-[4-[(2-fluoro-6-methyl-4-propylphenyl)sulfanylmethyl]cyclohexyl]benzene
CID 59592380
2-[4-[(2,3-difluoro-4-methylphenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967271
1-[[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 118592730
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730623

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-(4-propylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-[difluoro-(4-propylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene (CID 20576292) is 1-[difluoro-(4-propylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-[difluoro-(4-propylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-[difluoro-(4-propylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene is CCCC1CCC(OC(F)(F)c2ccc(C)c(F)c2F)CC1.
What is the InChIKey of 1-[difluoro-(4-propylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene?
The InChIKey is LDVJSIFGMHEOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F4O/c1-3-4-12-6-8-13(9-7-12)22-17(20,21)14-10-5-11(2)15(18)16(14)19/h5,10,12-13H,3-4,6-9H2,1-2H3.
What are the key properties of 1-[difluoro-(4-propylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene?
1-[difluoro-(4-propylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene has a molecular weight of 318.35 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-(4-propylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 20576292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).