2,3-difluoro-1-methanidyloxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;bis(vanadium)

C22H29F2OV2- — CID 59523710

IUPAC2,3-difluoro-1-methanidyloxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;bis(vanadium)
SMILES[CH2-]Oc1ccc(C2CCC(C3CCC(/C=C/C)CC3)CC2)c(F)c1F.[V].[V]
InChIInChI=1S/C22H29F2O.2V/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-14-20(25-2)22(24)21(19)23;;/h3-4,13-18H,2,5-12H2,1H3;;/q-1;;/b4-3+;;
InChIKeyVZFVHFDGFJYZAV-CZEFNJPISA-N
MW449.36 g/mol
LogP6.79
Rot. Bonds4

About 2,3-difluoro-1-methanidyloxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;bis(vanadium)

2,3-difluoro-1-methanidyloxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;bis(vanadium) (PubChem CID 59523710) has the molecular formula C22H29F2OV2- and a molecular weight of 449.36 g/mol. Its IUPAC name is 2,3-difluoro-1-methanidyloxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;bis(vanadium).

Molecular Properties

Compound Name2,3-difluoro-1-methanidyloxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;bis(vanadium)
PubChem CID59523710
Molecular FormulaC22H29F2OV2-
Molecular Weight449.36 g/mol
Exact Mass449.11
IUPAC Name2,3-difluoro-1-methanidyloxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;bis(vanadium)
SMILES[CH2-]Oc1ccc(C2CCC(C3CCC(/C=C/C)CC3)CC2)c(F)c1F.[V].[V]
InChIInChI=1S/C22H29F2O.2V/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-14-20(25-2)22(24)21(19)23;;/h3-4,13-18H,2,5-12H2,1H3;;/q-1;;/b4-3+;;
InChIKeyVZFVHFDGFJYZAV-CZEFNJPISA-N
XLogP6.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.36
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene
CID 69087569
2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane
CID 158097848
1-(2,2-difluoroethoxy)-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 175685885
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
CID 90161378
5-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]-2-(4-prop-1-enylcyclohexyl)oxane
CID 91556430
2,3-difluoro-1-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]-4-[(E)-prop-1-enoxy]benzene
CID 90161515
2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane
CID 58021302
5-(4-ethoxy-2,3-difluorophenyl)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]oxane
CID 58021249
1-[4-(2,3-difluoro-4-heptoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]benzene
CID 77345552
2,3-difluoro-1-methoxy-4-[4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]cyclohexyl]benzene
CID 20621725
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 20621688
1-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]-2,3-difluoro-4-(4-prop-1-enylcyclohexyl)benzene
CID 77469245

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methanidyloxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;bis(vanadium)?
The IUPAC name of 2,3-difluoro-1-methanidyloxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;bis(vanadium) (CID 59523710) is 2,3-difluoro-1-methanidyloxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;bis(vanadium).
What is the SMILES notation for 2,3-difluoro-1-methanidyloxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;bis(vanadium)?
The canonical SMILES for 2,3-difluoro-1-methanidyloxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;bis(vanadium) is [CH2-]Oc1ccc(C2CCC(C3CCC(/C=C/C)CC3)CC2)c(F)c1F.[V].[V].
What is the InChIKey of 2,3-difluoro-1-methanidyloxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;bis(vanadium)?
The InChIKey is VZFVHFDGFJYZAV-CZEFNJPISA-N. The full InChI is InChI=1S/C22H29F2O.2V/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-14-20(25-2)22(24)21(19)23;;/h3-4,13-18H,2,5-12H2,1H3;;/q-1;;/b4-3+;;.
What are the key properties of 2,3-difluoro-1-methanidyloxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;bis(vanadium)?
2,3-difluoro-1-methanidyloxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;bis(vanadium) has a molecular weight of 449.36 g/mol, XLogP of 6.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methanidyloxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;bis(vanadium) is sourced from PubChem (CID 59523710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).