1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane

C18H17F5 — CID 143726986

IUPAC1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane
SMILESCC.Cc1ccc(-c2cc(F)c(C=CC(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C16H11F5.C2H6/c1-10-2-4-11(5-3-10)12-8-14(17)13(15(18)9-12)6-7-16(19,20)21;1-2/h2-9H,1H3;1-2H3
InChIKeyZIVNADRZYRBZMD-UHFFFAOYSA-N
MW328.32 g/mol
LogP6.54
Rot. Bonds2

About 1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane

1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane (PubChem CID 143726986) has the molecular formula C18H17F5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane.

Molecular Properties

Compound Name1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane
PubChem CID143726986
Molecular FormulaC18H17F5
Molecular Weight328.32 g/mol
Exact Mass328.13
IUPAC Name1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane
SMILESCC.Cc1ccc(-c2cc(F)c(C=CC(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C16H11F5.C2H6/c1-10-2-4-11(5-3-10)12-8-14(17)13(15(18)9-12)6-7-16(19,20)21;1-2/h2-9H,1H3;1-2H3
InChIKeyZIVNADRZYRBZMD-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.32
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane?
The IUPAC name of 1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane (CID 143726986) is 1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane.
What is the SMILES notation for 1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane?
The canonical SMILES for 1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane is CC.Cc1ccc(-c2cc(F)c(C=CC(F)(F)F)c(F)c2)cc1.
What is the InChIKey of 1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane?
The InChIKey is ZIVNADRZYRBZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5.C2H6/c1-10-2-4-11(5-3-10)12-8-14(17)13(15(18)9-12)6-7-16(19,20)21;1-2/h2-9H,1H3;1-2H3.
What are the key properties of 1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane?
1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane has a molecular weight of 328.32 g/mol, XLogP of 6.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane is sourced from PubChem (CID 143726986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).