2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylbenzene;molecular hydrogen

C22H34F2 — CID 159485452

IUPAC2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylbenzene;molecular hydrogen
SMILESC=CCc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1F.[H][H].[H][H]
InChIInChI=1S/C22H30F2.2H2/c1-3-4-19-13-14-20(22(24)21(19)23)18-11-9-17(10-12-18)16-7-5-15(2)6-8-16;;/h3,13-18H,1,4-12H2,2H3;2*1H
InChIKeySERFKXARZJERRC-UHFFFAOYSA-N
MW336.51 g/mol
LogP7.29
Rot. Bonds4

About 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylbenzene;molecular hydrogen

2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylbenzene;molecular hydrogen (PubChem CID 159485452) has the molecular formula C22H34F2 and a molecular weight of 336.51 g/mol. Its IUPAC name is 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylbenzene;molecular hydrogen.

Molecular Properties

Compound Name2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylbenzene;molecular hydrogen
PubChem CID159485452
Molecular FormulaC22H34F2
Molecular Weight336.51 g/mol
Exact Mass336.26
IUPAC Name2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylbenzene;molecular hydrogen
SMILESC=CCc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1F.[H][H].[H][H]
InChIInChI=1S/C22H30F2.2H2/c1-3-4-19-13-14-20(22(24)21(19)23)18-11-9-17(10-12-18)16-7-5-15(2)6-8-16;;/h3,13-18H,1,4-12H2,2H3;2*1H
InChIKeySERFKXARZJERRC-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.51
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-ethyl-4-methylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enylbenzene
CID 126759201
1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 161461439
2,3-difluoro-1-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-4-prop-2-enylbenzene
CID 67730556
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene
CID 145436427
1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 160793122
1-ethenyl-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 90893098
1-[2-[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]ethyl]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
CID 90164855
[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite
CID 143863856
1-[4-[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phenyl]-2,3-difluoro-4-octylbenzene
CID 143772982
1-[4-(2,3-difluoro-4-hexylphenyl)phenyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 143773014
3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 71046263
2-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohexyl]-6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139869023

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylbenzene;molecular hydrogen?
The IUPAC name of 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylbenzene;molecular hydrogen (CID 159485452) is 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylbenzene;molecular hydrogen.
What is the SMILES notation for 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylbenzene;molecular hydrogen?
The canonical SMILES for 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylbenzene;molecular hydrogen is C=CCc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1F.[H][H].[H][H].
What is the InChIKey of 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylbenzene;molecular hydrogen?
The InChIKey is SERFKXARZJERRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F2.2H2/c1-3-4-19-13-14-20(22(24)21(19)23)18-11-9-17(10-12-18)16-7-5-15(2)6-8-16;;/h3,13-18H,1,4-12H2,2H3;2*1H.
What are the key properties of 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylbenzene;molecular hydrogen?
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylbenzene;molecular hydrogen has a molecular weight of 336.51 g/mol, XLogP of 7.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylbenzene;molecular hydrogen is sourced from PubChem (CID 159485452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).