1,2-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene

C9H5Cl2F3 — CID 67427586

IUPAC1,2-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene
SMILESC=C(c1ccc(Cl)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C9H5Cl2F3/c1-5(9(12,13)14)6-2-3-7(10)8(11)4-6/h2-4H,1H2
InChIKeyCRRDJBJRQJVPGI-UHFFFAOYSA-N
MW241.04 g/mol
LogP4.57
Rot. Bonds1

About 1,2-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene

1,2-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene (PubChem CID 67427586) has the molecular formula C9H5Cl2F3 and a molecular weight of 241.04 g/mol. Its IUPAC name is 1,2-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene
PubChem CID67427586
Molecular FormulaC9H5Cl2F3
Molecular Weight241.04 g/mol
Exact Mass239.97
IUPAC Name1,2-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene
SMILESC=C(c1ccc(Cl)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C9H5Cl2F3/c1-5(9(12,13)14)6-2-3-7(10)8(11)4-6/h2-4H,1H2
InChIKeyCRRDJBJRQJVPGI-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.04
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene?
The IUPAC name of 1,2-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene (CID 67427586) is 1,2-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene?
The canonical SMILES for 1,2-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene is C=C(c1ccc(Cl)c(Cl)c1)C(F)(F)F.
What is the InChIKey of 1,2-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene?
The InChIKey is CRRDJBJRQJVPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2F3/c1-5(9(12,13)14)6-2-3-7(10)8(11)4-6/h2-4H,1H2.
What are the key properties of 1,2-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene?
1,2-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene has a molecular weight of 241.04 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene is sourced from PubChem (CID 67427586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).