5-chloro-4,4,5,5-tetrafluoropenta-1,2-diene

C5H3ClF4 — CID 14816568

IUPAC5-chloro-4,4,5,5-tetrafluoropenta-1,2-diene
SMILESC=C=CC(F)(F)C(F)(F)Cl
InChIInChI=1S/C5H3ClF4/c1-2-3-4(7,8)5(6,9)10/h3H,1H2
InChIKeyCQPHEWAHQJQCRX-UHFFFAOYSA-N
MW174.52 g/mol
LogP2.79
Rot. Bonds2

About 5-chloro-4,4,5,5-tetrafluoropenta-1,2-diene

5-chloro-4,4,5,5-tetrafluoropenta-1,2-diene (PubChem CID 14816568) has the molecular formula C5H3ClF4 and a molecular weight of 174.52 g/mol. Its IUPAC name is 5-chloro-4,4,5,5-tetrafluoropenta-1,2-diene.

Molecular Properties

Compound Name5-chloro-4,4,5,5-tetrafluoropenta-1,2-diene
PubChem CID14816568
Molecular FormulaC5H3ClF4
Molecular Weight174.52 g/mol
Exact Mass173.99
IUPAC Name5-chloro-4,4,5,5-tetrafluoropenta-1,2-diene
SMILESC=C=CC(F)(F)C(F)(F)Cl
InChIInChI=1S/C5H3ClF4/c1-2-3-4(7,8)5(6,9)10/h3H,1H2
InChIKeyCQPHEWAHQJQCRX-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.52
LogP ≤ 52.79
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'}

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Related Compounds

1-Chloro 3,3,4,4-tetrafluoro cyclobutene
CID 12663854
2-Chloro-3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene
CID 2736661
2-Chloro-3,3,4,4,5,5,5-heptafluoropent-1-ene
CID 2773786
2-Chloro-3,3,4,4,4-pentafluorobut-1-ene
CID 87213415
3-Chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene
CID 134873275
3-[Chloro(difluoro)methyl]-3,4,4,4-tetrafluorobut-1-ene
CID 12829405
(Z)-1,3,4-trichloro-1,3,4,4-tetrafluorobut-1-ene
CID 18915998
(E)-3-chloro-1,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene
CID 21459299
2-Chloro-1,1,3,3-tetrafluorobut-1-ene
CID 21459306
1,2-Dichloro-1,3,3,4,4-pentafluorobut-1-ene
CID 53976827
1,2-Dichloro-1,3,3,4-tetrafluorobut-1-ene
CID 54067312
3-Chloro-1,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene
CID 54510957

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,4,5,5-tetrafluoropenta-1,2-diene?
The IUPAC name of 5-chloro-4,4,5,5-tetrafluoropenta-1,2-diene (CID 14816568) is 5-chloro-4,4,5,5-tetrafluoropenta-1,2-diene.
What is the SMILES notation for 5-chloro-4,4,5,5-tetrafluoropenta-1,2-diene?
The canonical SMILES for 5-chloro-4,4,5,5-tetrafluoropenta-1,2-diene is C=C=CC(F)(F)C(F)(F)Cl.
What is the InChIKey of 5-chloro-4,4,5,5-tetrafluoropenta-1,2-diene?
The InChIKey is CQPHEWAHQJQCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF4/c1-2-3-4(7,8)5(6,9)10/h3H,1H2.
What are the key properties of 5-chloro-4,4,5,5-tetrafluoropenta-1,2-diene?
5-chloro-4,4,5,5-tetrafluoropenta-1,2-diene has a molecular weight of 174.52 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,4,5,5-tetrafluoropenta-1,2-diene is sourced from PubChem (CID 14816568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).