1-chloro-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-enyl)benzene

C10H5ClF6 — CID 123239605

IUPAC1-chloro-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-enyl)benzene
SMILESFC(F)(F)C=Cc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C10H5ClF6/c11-8-4-6(1-2-9(12,13)14)3-7(5-8)10(15,16)17/h1-5H
InChIKeySKAXJPUMWJGQKR-UHFFFAOYSA-N
MW274.59 g/mol
LogP4.93
Rot. Bonds1

About 1-chloro-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-enyl)benzene

1-chloro-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-enyl)benzene (PubChem CID 123239605) has the molecular formula C10H5ClF6 and a molecular weight of 274.59 g/mol. Its IUPAC name is 1-chloro-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-enyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-enyl)benzene
PubChem CID123239605
Molecular FormulaC10H5ClF6
Molecular Weight274.59 g/mol
Exact Mass274.00
IUPAC Name1-chloro-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-enyl)benzene
SMILESFC(F)(F)C=Cc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C10H5ClF6/c11-8-4-6(1-2-9(12,13)14)3-7(5-8)10(15,16)17/h1-5H
InChIKeySKAXJPUMWJGQKR-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-3-(4-chlorobut-1-enyl)-5-(trifluoromethyl)benzene
CID 170499630
3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 169482204
1-(4-bromobut-1-enyl)-3-chloro-5-(trifluoromethyl)benzene
CID 170497935
4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477050
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-enoic acid
CID 170484042
4-[3-chloro-5-(trifluoromethyl)phenyl]-N-methylbut-3-en-1-amine
CID 170496242
N-[3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465954
1-chloro-3-fluoro-5-(trifluoromethyl)benzene
CID 19612353
1,3-difluoro-5-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 87167170
5-[[3-chloro-5-(trifluoromethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598410
[3-chloro-5-(trifluoromethyl)phenyl]-trifluoroboranuide
CID 116700642

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-enyl)benzene?
The IUPAC name of 1-chloro-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-enyl)benzene (CID 123239605) is 1-chloro-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-enyl)benzene.
What is the SMILES notation for 1-chloro-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-enyl)benzene?
The canonical SMILES for 1-chloro-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-enyl)benzene is FC(F)(F)C=Cc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 1-chloro-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-enyl)benzene?
The InChIKey is SKAXJPUMWJGQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF6/c11-8-4-6(1-2-9(12,13)14)3-7(5-8)10(15,16)17/h1-5H.
What are the key properties of 1-chloro-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-enyl)benzene?
1-chloro-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-enyl)benzene has a molecular weight of 274.59 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-enyl)benzene is sourced from PubChem (CID 123239605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).