3-[chloro(fluoro)methyl]-4,5,5,6,7,7,7-heptafluorohepta-1,2-diene

C8H5ClF8 — CID 151806624

IUPAC3-[chloro(fluoro)methyl]-4,5,5,6,7,7,7-heptafluorohepta-1,2-diene
SMILESC=C=C(C(F)Cl)C(F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H5ClF8/c1-2-3(5(9)11)4(10)7(13,14)6(12)8(15,16)17/h4-6H,1H2
InChIKeyRZSYHXXHBQEQPL-UHFFFAOYSA-N
MW288.57 g/mol
LogP4.11
Rot. Bonds4

About 3-[chloro(fluoro)methyl]-4,5,5,6,7,7,7-heptafluorohepta-1,2-diene

3-[chloro(fluoro)methyl]-4,5,5,6,7,7,7-heptafluorohepta-1,2-diene (PubChem CID 151806624) has the molecular formula C8H5ClF8 and a molecular weight of 288.57 g/mol. Its IUPAC name is 3-[chloro(fluoro)methyl]-4,5,5,6,7,7,7-heptafluorohepta-1,2-diene.

Molecular Properties

Compound Name3-[chloro(fluoro)methyl]-4,5,5,6,7,7,7-heptafluorohepta-1,2-diene
PubChem CID151806624
Molecular FormulaC8H5ClF8
Molecular Weight288.57 g/mol
Exact Mass288.00
IUPAC Name3-[chloro(fluoro)methyl]-4,5,5,6,7,7,7-heptafluorohepta-1,2-diene
SMILESC=C=C(C(F)Cl)C(F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H5ClF8/c1-2-3(5(9)11)4(10)7(13,14)6(12)8(15,16)17/h4-6H,1H2
InChIKeyRZSYHXXHBQEQPL-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.57
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,4-dichloro-1,1,1,2,3,3-hexafluorobutane
CID 12829383
3,3,4,5,5,5-hexafluoropentan-2-ol
CID 2775019
2,3,4,4-tetrachloro-1,5,6,6,7,8,8,8-octafluorooct-1-ene
CID 150379236
1,1,1,2,3,3,4,5-octafluoropentane
CID 86184237
1,1,2,3,3,3-hexafluoropropan-1-ol;silane
CID 174461418
3,4,4,4-tetrafluoro-2,2-dimethylbutanenitrile
CID 105433992
2-chloro-3,4,4,5,5-pentafluoropent-1-ene
CID 87403789
2,2,3,4,4,4-hexafluorobutan-1-ol
CID 533990
1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol
CID 87660779
(1R)-1-chloro-1,2-difluoro-2-methylpropane
CID 129383496
carbanylium;2-chloro-1,1,1,2-tetrafluoroethane;2-fluoroprop-1-ene;hydrochloride
CID 162149218
3,4,5,5,5-pentafluoro-3-(1,2,2,2-tetrafluoroethyl)pent-1-yne
CID 12758794

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(fluoro)methyl]-4,5,5,6,7,7,7-heptafluorohepta-1,2-diene?
The IUPAC name of 3-[chloro(fluoro)methyl]-4,5,5,6,7,7,7-heptafluorohepta-1,2-diene (CID 151806624) is 3-[chloro(fluoro)methyl]-4,5,5,6,7,7,7-heptafluorohepta-1,2-diene.
What is the SMILES notation for 3-[chloro(fluoro)methyl]-4,5,5,6,7,7,7-heptafluorohepta-1,2-diene?
The canonical SMILES for 3-[chloro(fluoro)methyl]-4,5,5,6,7,7,7-heptafluorohepta-1,2-diene is C=C=C(C(F)Cl)C(F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 3-[chloro(fluoro)methyl]-4,5,5,6,7,7,7-heptafluorohepta-1,2-diene?
The InChIKey is RZSYHXXHBQEQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF8/c1-2-3(5(9)11)4(10)7(13,14)6(12)8(15,16)17/h4-6H,1H2.
What are the key properties of 3-[chloro(fluoro)methyl]-4,5,5,6,7,7,7-heptafluorohepta-1,2-diene?
3-[chloro(fluoro)methyl]-4,5,5,6,7,7,7-heptafluorohepta-1,2-diene has a molecular weight of 288.57 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(fluoro)methyl]-4,5,5,6,7,7,7-heptafluorohepta-1,2-diene is sourced from PubChem (CID 151806624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).