[4-[[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]methoxy]-2,3-difluorophenyl] hypochlorite

C22H27ClF2O2 — CID 176948903

IUPAC[4-[[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]methoxy]-2,3-difluorophenyl] hypochlorite
SMILESFc1c(OCl)ccc(OCC2=CCC(C3CCC(C4CC4)CC3)CC2)c1F
InChIInChI=1S/C22H27ClF2O2/c23-27-20-12-11-19(21(24)22(20)25)26-13-14-1-3-15(4-2-14)16-5-7-17(8-6-16)18-9-10-18/h1,11-12,15-18H,2-10,13H2
InChIKeyPLZSIXKTOIANJW-UHFFFAOYSA-N
MW396.91 g/mol
LogP6.82
Rot. Bonds6

About [4-[[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]methoxy]-2,3-difluorophenyl] hypochlorite

[4-[[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]methoxy]-2,3-difluorophenyl] hypochlorite (PubChem CID 176948903) has the molecular formula C22H27ClF2O2 and a molecular weight of 396.91 g/mol. Its IUPAC name is [4-[[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]methoxy]-2,3-difluorophenyl] hypochlorite.

Molecular Properties

Compound Name[4-[[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]methoxy]-2,3-difluorophenyl] hypochlorite
PubChem CID176948903
Molecular FormulaC22H27ClF2O2
Molecular Weight396.91 g/mol
Exact Mass396.17
IUPAC Name[4-[[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]methoxy]-2,3-difluorophenyl] hypochlorite
SMILESFc1c(OCl)ccc(OCC2=CCC(C3CCC(C4CC4)CC3)CC2)c1F
InChIInChI=1S/C22H27ClF2O2/c23-27-20-12-11-19(21(24)22(20)25)26-13-14-1-3-15(4-2-14)16-5-7-17(8-6-16)18-9-10-18/h1,11-12,15-18H,2-10,13H2
InChIKeyPLZSIXKTOIANJW-UHFFFAOYSA-N
XLogP6.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.91
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-[[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]methoxy]-2,3-difluorophenyl] hypochlorite with MolForge

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Related Compounds

1-[[4-(4-cyclopentylcyclohexyl)cyclohexen-1-yl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 177267203
1-[[4-[4-(2-cyclopropylethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-4-(cyclopropylmethoxy)-2,3-difluorobenzene
CID 166919685
1-(cyclopentylmethoxy)-4-[[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-2,3-difluorobenzene
CID 169258990
1-[[4-[4-(cyclobutylmethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-2,3-difluoro-4-methylbenzene
CID 170196996
1-(cyclopentylmethoxy)-2,3-difluoro-4-[[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]methoxy]benzene
CID 169258986
3-chloro-1-ethoxy-2-fluoro-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexen-1-yl]benzene
CID 141281492
1-butoxy-2,3-difluoro-4-[4-[4-(4-pentylcyclohex-3-en-1-yl)cyclohexyl]but-3-enyl]benzene
CID 77417175
3-chloro-1-ethoxy-2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene
CID 59257238
[6-ethoxy-2-fluoro-3-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phosphane
CID 166903499
[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite
CID 143863856
1-butoxy-4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-3-chloro-2-fluorobenzene
CID 59257435
1-(4-cyclohexylcyclohexen-1-yl)-4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorobenzene
CID 67739870

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]methoxy]-2,3-difluorophenyl] hypochlorite?
The IUPAC name of [4-[[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]methoxy]-2,3-difluorophenyl] hypochlorite (CID 176948903) is [4-[[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]methoxy]-2,3-difluorophenyl] hypochlorite.
What is the SMILES notation for [4-[[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]methoxy]-2,3-difluorophenyl] hypochlorite?
The canonical SMILES for [4-[[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]methoxy]-2,3-difluorophenyl] hypochlorite is Fc1c(OCl)ccc(OCC2=CCC(C3CCC(C4CC4)CC3)CC2)c1F.
What is the InChIKey of [4-[[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]methoxy]-2,3-difluorophenyl] hypochlorite?
The InChIKey is PLZSIXKTOIANJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClF2O2/c23-27-20-12-11-19(21(24)22(20)25)26-13-14-1-3-15(4-2-14)16-5-7-17(8-6-16)18-9-10-18/h1,11-12,15-18H,2-10,13H2.
What are the key properties of [4-[[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]methoxy]-2,3-difluorophenyl] hypochlorite?
[4-[[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]methoxy]-2,3-difluorophenyl] hypochlorite has a molecular weight of 396.91 g/mol, XLogP of 6.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]methoxy]-2,3-difluorophenyl] hypochlorite is sourced from PubChem (CID 176948903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).