3-chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene

C5HClF8 — CID 134873275

IUPAC3-chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene
SMILESFC(F)=CC(F)(Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HClF8/c6-3(9,1-2(7)8)4(10,11)5(12,13)14/h1H
InChIKeyCCQGGVSJIZSPFD-UHFFFAOYSA-N
MW248.50 g/mol
LogP3.87
Rot. Bonds2

About 3-chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene

3-chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene (PubChem CID 134873275) has the molecular formula C5HClF8 and a molecular weight of 248.50 g/mol. Its IUPAC name is 3-chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene.

Molecular Properties

Compound Name3-chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene
PubChem CID134873275
Molecular FormulaC5HClF8
Molecular Weight248.50 g/mol
Exact Mass247.96
IUPAC Name3-chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene
SMILESFC(F)=CC(F)(Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HClF8/c6-3(9,1-2(7)8)4(10,11)5(12,13)14/h1H
InChIKeyCCQGGVSJIZSPFD-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.50
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,3,4,4,5,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene;hydrofluoride
CID 162621477
1,1,1,4,4-pentafluoro-2-(trifluoromethyl)but-3-en-2-ol
CID 10014064
1,1,3,3,5,5,7,7,9,9,10,10,11,11,11-pentadecafluoroundec-1-ene
CID 139624021
1-chloro-2,3,3,4,4,5,5,5-octafluoropent-1-ene
CID 151086807
1,1,3,3-tetrafluoro-3-(1,1,3,3-tetrafluoroprop-2-enoxy)prop-1-ene
CID 87946697
2-chloro-1,1-difluoroethene;tetrachloromethane
CID 175077525
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
1,1-dichloro-1,3-difluorobut-2-ene
CID 54481104
1,1,3,3,3-pentafluoroprop-1-ene;3,3,3-trifluoroprop-1-ene
CID 21301207
1,1-difluoro-3,3-dimethylbut-1-ene
CID 11542776
1-chloro-1,1,3,3,3-pentafluoropropane-2,2-diol
CID 2736631
1,1,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3-(trifluoromethyl)oct-1-ene
CID 159211842

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene?
The IUPAC name of 3-chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene (CID 134873275) is 3-chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene.
What is the SMILES notation for 3-chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene?
The canonical SMILES for 3-chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene is FC(F)=CC(F)(Cl)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene?
The InChIKey is CCQGGVSJIZSPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HClF8/c6-3(9,1-2(7)8)4(10,11)5(12,13)14/h1H.
What are the key properties of 3-chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene?
3-chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene has a molecular weight of 248.50 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene is sourced from PubChem (CID 134873275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).