1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+)

C14H17F2ORb — CID 58058726

IUPAC1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+)
SMILESCC1CCC(COc2cc[c-]c(F)c2F)CC1.[Rb+]
InChIInChI=1S/C14H17F2O.Rb/c1-10-5-7-11(8-6-10)9-17-13-4-2-3-12(15)14(13)16;/h2,4,10-11H,5-9H2,1H3;/q-1;+1
InChIKeyOACXPVBOLMKVPR-UHFFFAOYSA-N
MW324.75 g/mol
LogP0.97
Rot. Bonds3

About 1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+)

1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+) (PubChem CID 58058726) has the molecular formula C14H17F2ORb and a molecular weight of 324.75 g/mol. Its IUPAC name is 1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+).

Molecular Properties

Compound Name1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+)
PubChem CID58058726
Molecular FormulaC14H17F2ORb
Molecular Weight324.75 g/mol
Exact Mass324.04
IUPAC Name1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+)
SMILESCC1CCC(COc2cc[c-]c(F)c2F)CC1.[Rb+]
InChIInChI=1S/C14H17F2O.Rb/c1-10-5-7-11(8-6-10)9-17-13-4-2-3-12(15)14(13)16;/h2,4,10-11H,5-9H2,1H3;/q-1;+1
InChIKeyOACXPVBOLMKVPR-UHFFFAOYSA-N
XLogP0.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.75
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 162428612
2,3-difluoro-1-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-[(4-methylcyclohexyl)methoxy]benzene;molecular hydrogen
CID 160962445
2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane
CID 145011796
2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene
CID 143507707
2,3-difluoro-1-[(4-methylcyclohexyl)methoxy]-4-[(E)-prop-1-enoxy]benzene
CID 90161461
1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]methoxy]benzene
CID 139334314
1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene
CID 159362003
1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene
CID 19792980
1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene
CID 139460540
2-[(4-ethenyl-2,3-difluorophenoxy)methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 144724169
3-fluoro-1-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]-4-[(4-methylcyclohexyl)methoxy]-2-(trifluoromethyl)benzene
CID 154547462
2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 19103474

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+)?
The IUPAC name of 1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+) (CID 58058726) is 1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+).
What is the SMILES notation for 1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+)?
The canonical SMILES for 1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+) is CC1CCC(COc2cc[c-]c(F)c2F)CC1.[Rb+].
What is the InChIKey of 1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+)?
The InChIKey is OACXPVBOLMKVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2O.Rb/c1-10-5-7-11(8-6-10)9-17-13-4-2-3-12(15)14(13)16;/h2,4,10-11H,5-9H2,1H3;/q-1;+1.
What are the key properties of 1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+)?
1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+) has a molecular weight of 324.75 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+) is sourced from PubChem (CID 58058726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).