1,2-difluoro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene

C16H20F2O — CID 19097954

IUPAC1,2-difluoro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene
SMILESCOC/C=C/C1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H20F2O/c1-19-10-2-3-12-4-6-13(7-5-12)14-8-9-15(17)16(18)11-14/h2-3,8-9,11-13H,4-7,10H2,1H3/b3-2+
InChIKeyPUPGMUSCYGVNGM-NSCUHMNNSA-N
MW266.33 g/mol
LogP4.44
Rot. Bonds4

About 1,2-difluoro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene

1,2-difluoro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene (PubChem CID 19097954) has the molecular formula C16H20F2O and a molecular weight of 266.33 g/mol. Its IUPAC name is 1,2-difluoro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene
PubChem CID19097954
Molecular FormulaC16H20F2O
Molecular Weight266.33 g/mol
Exact Mass266.15
IUPAC Name1,2-difluoro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene
SMILESCOC/C=C/C1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H20F2O/c1-19-10-2-3-12-4-6-13(7-5-12)14-8-9-15(17)16(18)11-14/h2-3,8-9,11-13H,4-7,10H2,1H3/b3-2+
InChIKeyPUPGMUSCYGVNGM-NSCUHMNNSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene?
The IUPAC name of 1,2-difluoro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene (CID 19097954) is 1,2-difluoro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene is COC/C=C/C1CCC(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1,2-difluoro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene?
The InChIKey is PUPGMUSCYGVNGM-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H20F2O/c1-19-10-2-3-12-4-6-13(7-5-12)14-8-9-15(17)16(18)11-14/h2-3,8-9,11-13H,4-7,10H2,1H3/b3-2+.
What are the key properties of 1,2-difluoro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene?
1,2-difluoro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene has a molecular weight of 266.33 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene is sourced from PubChem (CID 19097954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).