1,3-dichloro-5-(3,3-difluoro-3-phenoxyprop-1-en-2-yl)benzene

C15H10Cl2F2O — CID 164523734

IUPAC1,3-dichloro-5-(3,3-difluoro-3-phenoxyprop-1-en-2-yl)benzene
SMILESC=C(c1cc(Cl)cc(Cl)c1)C(F)(F)Oc1ccccc1
InChIInChI=1S/C15H10Cl2F2O/c1-10(11-7-12(16)9-13(17)8-11)15(18,19)20-14-5-3-2-4-6-14/h2-9H,1H2
InChIKeyICBSOPVPFZDNIU-UHFFFAOYSA-N
MW315.15 g/mol
LogP5.68
Rot. Bonds4

About 1,3-dichloro-5-(3,3-difluoro-3-phenoxyprop-1-en-2-yl)benzene

1,3-dichloro-5-(3,3-difluoro-3-phenoxyprop-1-en-2-yl)benzene (PubChem CID 164523734) has the molecular formula C15H10Cl2F2O and a molecular weight of 315.15 g/mol. Its IUPAC name is 1,3-dichloro-5-(3,3-difluoro-3-phenoxyprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-(3,3-difluoro-3-phenoxyprop-1-en-2-yl)benzene
PubChem CID164523734
Molecular FormulaC15H10Cl2F2O
Molecular Weight315.15 g/mol
Exact Mass314.01
IUPAC Name1,3-dichloro-5-(3,3-difluoro-3-phenoxyprop-1-en-2-yl)benzene
SMILESC=C(c1cc(Cl)cc(Cl)c1)C(F)(F)Oc1ccccc1
InChIInChI=1S/C15H10Cl2F2O/c1-10(11-7-12(16)9-13(17)8-11)15(18,19)20-14-5-3-2-4-6-14/h2-9H,1H2
InChIKeyICBSOPVPFZDNIU-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.15
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(3,3-difluoro-3-phenoxyprop-1-en-2-yl)benzene?
The IUPAC name of 1,3-dichloro-5-(3,3-difluoro-3-phenoxyprop-1-en-2-yl)benzene (CID 164523734) is 1,3-dichloro-5-(3,3-difluoro-3-phenoxyprop-1-en-2-yl)benzene.
What is the SMILES notation for 1,3-dichloro-5-(3,3-difluoro-3-phenoxyprop-1-en-2-yl)benzene?
The canonical SMILES for 1,3-dichloro-5-(3,3-difluoro-3-phenoxyprop-1-en-2-yl)benzene is C=C(c1cc(Cl)cc(Cl)c1)C(F)(F)Oc1ccccc1.
What is the InChIKey of 1,3-dichloro-5-(3,3-difluoro-3-phenoxyprop-1-en-2-yl)benzene?
The InChIKey is ICBSOPVPFZDNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F2O/c1-10(11-7-12(16)9-13(17)8-11)15(18,19)20-14-5-3-2-4-6-14/h2-9H,1H2.
What are the key properties of 1,3-dichloro-5-(3,3-difluoro-3-phenoxyprop-1-en-2-yl)benzene?
1,3-dichloro-5-(3,3-difluoro-3-phenoxyprop-1-en-2-yl)benzene has a molecular weight of 315.15 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(3,3-difluoro-3-phenoxyprop-1-en-2-yl)benzene is sourced from PubChem (CID 164523734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).