2,4-difluoro-1-[(4-propan-2-ylcyclohexylidene)methyl]benzene

C16H20F2 — CID 21025451

IUPAC2,4-difluoro-1-[(4-propan-2-ylcyclohexylidene)methyl]benzene
SMILESCC(C)C1CCC(=Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H20F2/c1-11(2)13-5-3-12(4-6-13)9-14-7-8-15(17)10-16(14)18/h7-11,13H,3-6H2,1-2H3/b12-9-
InChIKeyYEHNWDOZVQRDGL-XFXZXTDPSA-N
MW250.33 g/mol
LogP5.19
Rot. Bonds2

About 2,4-difluoro-1-[(4-propan-2-ylcyclohexylidene)methyl]benzene

2,4-difluoro-1-[(4-propan-2-ylcyclohexylidene)methyl]benzene (PubChem CID 21025451) has the molecular formula C16H20F2 and a molecular weight of 250.33 g/mol. Its IUPAC name is 2,4-difluoro-1-[(4-propan-2-ylcyclohexylidene)methyl]benzene.

Molecular Properties

Compound Name2,4-difluoro-1-[(4-propan-2-ylcyclohexylidene)methyl]benzene
PubChem CID21025451
Molecular FormulaC16H20F2
Molecular Weight250.33 g/mol
Exact Mass250.15
IUPAC Name2,4-difluoro-1-[(4-propan-2-ylcyclohexylidene)methyl]benzene
SMILESCC(C)C1CCC(=Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H20F2/c1-11(2)13-5-3-12(4-6-13)9-14-7-8-15(17)10-16(14)18/h7-11,13H,3-6H2,1-2H3/b12-9-
InChIKeyYEHNWDOZVQRDGL-XFXZXTDPSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.33
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-[(4-propan-2-ylcyclohexylidene)methyl]benzene?
The IUPAC name of 2,4-difluoro-1-[(4-propan-2-ylcyclohexylidene)methyl]benzene (CID 21025451) is 2,4-difluoro-1-[(4-propan-2-ylcyclohexylidene)methyl]benzene.
What is the SMILES notation for 2,4-difluoro-1-[(4-propan-2-ylcyclohexylidene)methyl]benzene?
The canonical SMILES for 2,4-difluoro-1-[(4-propan-2-ylcyclohexylidene)methyl]benzene is CC(C)C1CCC(=Cc2ccc(F)cc2F)CC1.
What is the InChIKey of 2,4-difluoro-1-[(4-propan-2-ylcyclohexylidene)methyl]benzene?
The InChIKey is YEHNWDOZVQRDGL-XFXZXTDPSA-N. The full InChI is InChI=1S/C16H20F2/c1-11(2)13-5-3-12(4-6-13)9-14-7-8-15(17)10-16(14)18/h7-11,13H,3-6H2,1-2H3/b12-9-.
What are the key properties of 2,4-difluoro-1-[(4-propan-2-ylcyclohexylidene)methyl]benzene?
2,4-difluoro-1-[(4-propan-2-ylcyclohexylidene)methyl]benzene has a molecular weight of 250.33 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-[(4-propan-2-ylcyclohexylidene)methyl]benzene is sourced from PubChem (CID 21025451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).