chlorobenzene;3,3,3-trifluoroprop-1-ene

C9H8ClF3 — CID 158678902

IUPACchlorobenzene;3,3,3-trifluoroprop-1-ene
SMILESC=CC(F)(F)F.Clc1ccccc1
InChIInChI=1S/C6H5Cl.C3H3F3/c7-6-4-2-1-3-5-6;1-2-3(4,5)6/h1-5H;2H,1H2
InChIKeyIEWFSPIWKOHQDO-UHFFFAOYSA-N
MW208.61 g/mol
LogP4.07
Rot. Bonds

About chlorobenzene;3,3,3-trifluoroprop-1-ene

chlorobenzene;3,3,3-trifluoroprop-1-ene (PubChem CID 158678902) has the molecular formula C9H8ClF3 and a molecular weight of 208.61 g/mol. Its IUPAC name is chlorobenzene;3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Namechlorobenzene;3,3,3-trifluoroprop-1-ene
PubChem CID158678902
Molecular FormulaC9H8ClF3
Molecular Weight208.61 g/mol
Exact Mass208.03
IUPAC Namechlorobenzene;3,3,3-trifluoroprop-1-ene
SMILESC=CC(F)(F)F.Clc1ccccc1
InChIInChI=1S/C6H5Cl.C3H3F3/c7-6-4-2-1-3-5-6;1-2-3(4,5)6/h1-5H;2H,1H2
InChIKeyIEWFSPIWKOHQDO-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.61
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzene;chlorobenzene
CID 159657667
chlorobenzene;trifluoromethylbenzene
CID 159341337
chlorobenzene;chromium
CID 139244081
azane;chlorobenzene
CID 20560159
bismuthane;chlorobenzene
CID 174535973
magnesium;chlorobenzene;chloride
CID 22400294
chlorobenzene;hydrazine
CID 69403092
potassium;chlorobenzene;hydride
CID 173115077
chlorobenzene;titanium(4+);tetrachloride
CID 173055118
sodium;chlorobenzene;hydride
CID 173115235
3,3,3-trifluoroprop-1-ene
CID 90915807
chlorobenzene;fluorobenzene
CID 19024180

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;3,3,3-trifluoroprop-1-ene?
The IUPAC name of chlorobenzene;3,3,3-trifluoroprop-1-ene (CID 158678902) is chlorobenzene;3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for chlorobenzene;3,3,3-trifluoroprop-1-ene?
The canonical SMILES for chlorobenzene;3,3,3-trifluoroprop-1-ene is C=CC(F)(F)F.Clc1ccccc1.
What is the InChIKey of chlorobenzene;3,3,3-trifluoroprop-1-ene?
The InChIKey is IEWFSPIWKOHQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl.C3H3F3/c7-6-4-2-1-3-5-6;1-2-3(4,5)6/h1-5H;2H,1H2.
What are the key properties of chlorobenzene;3,3,3-trifluoroprop-1-ene?
chlorobenzene;3,3,3-trifluoroprop-1-ene has a molecular weight of 208.61 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;3,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 158678902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).