1-(3,3-difluoro-3-phenylprop-1-en-2-yl)-4-methylbenzene

C16H14F2 — CID 123988265

IUPAC1-(3,3-difluoro-3-phenylprop-1-en-2-yl)-4-methylbenzene
SMILESC=C(c1ccc(C)cc1)C(F)(F)c1ccccc1
InChIInChI=1S/C16H14F2/c1-12-8-10-14(11-9-12)13(2)16(17,18)15-6-4-3-5-7-15/h3-11H,2H2,1H3
InChIKeyJOVXRMCEASUXOG-UHFFFAOYSA-N
MW244.28 g/mol
LogP4.80
Rot. Bonds3

About 1-(3,3-difluoro-3-phenylprop-1-en-2-yl)-4-methylbenzene

1-(3,3-difluoro-3-phenylprop-1-en-2-yl)-4-methylbenzene (PubChem CID 123988265) has the molecular formula C16H14F2 and a molecular weight of 244.28 g/mol. Its IUPAC name is 1-(3,3-difluoro-3-phenylprop-1-en-2-yl)-4-methylbenzene.

Molecular Properties

Compound Name1-(3,3-difluoro-3-phenylprop-1-en-2-yl)-4-methylbenzene
PubChem CID123988265
Molecular FormulaC16H14F2
Molecular Weight244.28 g/mol
Exact Mass244.11
IUPAC Name1-(3,3-difluoro-3-phenylprop-1-en-2-yl)-4-methylbenzene
SMILESC=C(c1ccc(C)cc1)C(F)(F)c1ccccc1
InChIInChI=1S/C16H14F2/c1-12-8-10-14(11-9-12)13(2)16(17,18)15-6-4-3-5-7-15/h3-11H,2H2,1H3
InChIKeyJOVXRMCEASUXOG-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-3-phenylprop-1-en-2-yl)-4-methylbenzene?
The IUPAC name of 1-(3,3-difluoro-3-phenylprop-1-en-2-yl)-4-methylbenzene (CID 123988265) is 1-(3,3-difluoro-3-phenylprop-1-en-2-yl)-4-methylbenzene.
What is the SMILES notation for 1-(3,3-difluoro-3-phenylprop-1-en-2-yl)-4-methylbenzene?
The canonical SMILES for 1-(3,3-difluoro-3-phenylprop-1-en-2-yl)-4-methylbenzene is C=C(c1ccc(C)cc1)C(F)(F)c1ccccc1.
What is the InChIKey of 1-(3,3-difluoro-3-phenylprop-1-en-2-yl)-4-methylbenzene?
The InChIKey is JOVXRMCEASUXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2/c1-12-8-10-14(11-9-12)13(2)16(17,18)15-6-4-3-5-7-15/h3-11H,2H2,1H3.
What are the key properties of 1-(3,3-difluoro-3-phenylprop-1-en-2-yl)-4-methylbenzene?
1-(3,3-difluoro-3-phenylprop-1-en-2-yl)-4-methylbenzene has a molecular weight of 244.28 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-3-phenylprop-1-en-2-yl)-4-methylbenzene is sourced from PubChem (CID 123988265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).