[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite

C19H25ClF2O — CID 143863856

IUPAC[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite
SMILESCC1CCC(C2CCC(c3ccc(OCl)c(F)c3F)CC2)CC1
InChIInChI=1S/C19H25ClF2O/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(23-20)19(22)18(16)21/h10-15H,2-9H2,1H3
InChIKeyHDFFYWMROXCOOI-UHFFFAOYSA-N
MW342.86 g/mol
LogP6.60
Rot. Bonds3

About [2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite

[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite (PubChem CID 143863856) has the molecular formula C19H25ClF2O and a molecular weight of 342.86 g/mol. Its IUPAC name is [2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite.

Molecular Properties

Compound Name[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite
PubChem CID143863856
Molecular FormulaC19H25ClF2O
Molecular Weight342.86 g/mol
Exact Mass342.16
IUPAC Name[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite
SMILESCC1CCC(C2CCC(c3ccc(OCl)c(F)c3F)CC2)CC1
InChIInChI=1S/C19H25ClF2O/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(23-20)19(22)18(16)21/h10-15H,2-9H2,1H3
InChIKeyHDFFYWMROXCOOI-UHFFFAOYSA-N
XLogP6.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.86
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene;ethane
CID 142540994
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-[(E)-prop-1-enoxy]benzene
CID 90161498
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane
CID 142351768
1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 134358461
1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 20645953
1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 161461439
1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 160793122
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene
CID 145436427
1-[2-[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]ethyl]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
CID 90164855
3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 71046263
1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144647908
2,3-difluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 158933445

Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite?
The IUPAC name of [2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite (CID 143863856) is [2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite.
What is the SMILES notation for [2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite?
The canonical SMILES for [2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite is CC1CCC(C2CCC(c3ccc(OCl)c(F)c3F)CC2)CC1.
What is the InChIKey of [2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite?
The InChIKey is HDFFYWMROXCOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClF2O/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(23-20)19(22)18(16)21/h10-15H,2-9H2,1H3.
What are the key properties of [2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite?
[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite has a molecular weight of 342.86 g/mol, XLogP of 6.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite is sourced from PubChem (CID 143863856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).