1-cyclohexyl-2,3-difluoro-4-propoxybenzene

C15H20F2O — CID 90131075

IUPAC1-cyclohexyl-2,3-difluoro-4-propoxybenzene
SMILESCCCOc1ccc(C2CCCCC2)c(F)c1F
InChIInChI=1S/C15H20F2O/c1-2-10-18-13-9-8-12(14(16)15(13)17)11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3
InChIKeyRSZACLBNWSRPDF-UHFFFAOYSA-N
MW254.32 g/mol
LogP4.80
Rot. Bonds4

About 1-cyclohexyl-2,3-difluoro-4-propoxybenzene

1-cyclohexyl-2,3-difluoro-4-propoxybenzene (PubChem CID 90131075) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-cyclohexyl-2,3-difluoro-4-propoxybenzene.

Molecular Properties

Compound Name1-cyclohexyl-2,3-difluoro-4-propoxybenzene
PubChem CID90131075
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name1-cyclohexyl-2,3-difluoro-4-propoxybenzene
SMILESCCCOc1ccc(C2CCCCC2)c(F)c1F
InChIInChI=1S/C15H20F2O/c1-2-10-18-13-9-8-12(14(16)15(13)17)11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3
InChIKeyRSZACLBNWSRPDF-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butoxy-4-(4-cyclopentylcyclohexyl)-2,3-difluorobenzene
CID 118119063
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene
CID 20621743
2,3-difluoro-1-[4-(4-heptylcyclohexyl)cyclohexyl]-4-propoxybenzene
CID 134358385
(2S)-3-(4-cyclohexyl-2,3-difluorophenoxy)-2-methylpropan-1-ol
CID 167199971
1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 67895926
1-[2,3-difluoro-4-(4-octylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 134358699
1-butoxy-4-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-2,3-difluorophenyl]-2,3-difluorobenzene
CID 88856310
2,3-difluoro-1-octoxy-4-(4-octylcyclohexyl)benzene
CID 19103732
1-butoxy-4-[4-[[2,3-difluoro-4-(4-propoxycyclohexyl)phenoxy]methyl]cyclohexyl]-2,3-difluorobenzene
CID 89429969
2-(2,3-difluoro-4-propoxyphenyl)-6-(4-ethylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837053
1-[[4-(2,3-difluoro-4-propoxyphenyl)cyclohexyl]oxymethyl]-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 71001275
2,3-difluoro-1-propoxy-4-[4-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]cyclohexyl]benzene
CID 154607073

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,3-difluoro-4-propoxybenzene?
The IUPAC name of 1-cyclohexyl-2,3-difluoro-4-propoxybenzene (CID 90131075) is 1-cyclohexyl-2,3-difluoro-4-propoxybenzene.
What is the SMILES notation for 1-cyclohexyl-2,3-difluoro-4-propoxybenzene?
The canonical SMILES for 1-cyclohexyl-2,3-difluoro-4-propoxybenzene is CCCOc1ccc(C2CCCCC2)c(F)c1F.
What is the InChIKey of 1-cyclohexyl-2,3-difluoro-4-propoxybenzene?
The InChIKey is RSZACLBNWSRPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-2-10-18-13-9-8-12(14(16)15(13)17)11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3.
What are the key properties of 1-cyclohexyl-2,3-difluoro-4-propoxybenzene?
1-cyclohexyl-2,3-difluoro-4-propoxybenzene has a molecular weight of 254.32 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,3-difluoro-4-propoxybenzene is sourced from PubChem (CID 90131075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).