1-chloro-3-(1-chloro-3,3,3-trifluoroprop-1-enyl)benzene

C9H5Cl2F3 — CID 88636506

IUPAC1-chloro-3-(1-chloro-3,3,3-trifluoroprop-1-enyl)benzene
SMILESFC(F)(F)C=C(Cl)c1cccc(Cl)c1
InChIInChI=1S/C9H5Cl2F3/c10-7-3-1-2-6(4-7)8(11)5-9(12,13)14/h1-5H
InChIKeyNHMJAGCKGQUDGG-UHFFFAOYSA-N
MW241.04 g/mol
LogP4.48
Rot. Bonds1

About 1-chloro-3-(1-chloro-3,3,3-trifluoroprop-1-enyl)benzene

1-chloro-3-(1-chloro-3,3,3-trifluoroprop-1-enyl)benzene (PubChem CID 88636506) has the molecular formula C9H5Cl2F3 and a molecular weight of 241.04 g/mol. Its IUPAC name is 1-chloro-3-(1-chloro-3,3,3-trifluoroprop-1-enyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(1-chloro-3,3,3-trifluoroprop-1-enyl)benzene
PubChem CID88636506
Molecular FormulaC9H5Cl2F3
Molecular Weight241.04 g/mol
Exact Mass239.97
IUPAC Name1-chloro-3-(1-chloro-3,3,3-trifluoroprop-1-enyl)benzene
SMILESFC(F)(F)C=C(Cl)c1cccc(Cl)c1
InChIInChI=1S/C9H5Cl2F3/c10-7-3-1-2-6(4-7)8(11)5-9(12,13)14/h1-5H
InChIKeyNHMJAGCKGQUDGG-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(1-chloro-3,3,3-trifluoroprop-1-enyl)benzene?
The IUPAC name of 1-chloro-3-(1-chloro-3,3,3-trifluoroprop-1-enyl)benzene (CID 88636506) is 1-chloro-3-(1-chloro-3,3,3-trifluoroprop-1-enyl)benzene.
What is the SMILES notation for 1-chloro-3-(1-chloro-3,3,3-trifluoroprop-1-enyl)benzene?
The canonical SMILES for 1-chloro-3-(1-chloro-3,3,3-trifluoroprop-1-enyl)benzene is FC(F)(F)C=C(Cl)c1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-(1-chloro-3,3,3-trifluoroprop-1-enyl)benzene?
The InChIKey is NHMJAGCKGQUDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2F3/c10-7-3-1-2-6(4-7)8(11)5-9(12,13)14/h1-5H.
What are the key properties of 1-chloro-3-(1-chloro-3,3,3-trifluoroprop-1-enyl)benzene?
1-chloro-3-(1-chloro-3,3,3-trifluoroprop-1-enyl)benzene has a molecular weight of 241.04 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(1-chloro-3,3,3-trifluoroprop-1-enyl)benzene is sourced from PubChem (CID 88636506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).