1-chloro-2,3,3,4,4,5,5,5-octafluoropent-1-ene

C5HClF8 — CID 151086807

IUPAC1-chloro-2,3,3,4,4,5,5,5-octafluoropent-1-ene
SMILESFC(=CCl)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HClF8/c6-1-2(7)3(8,9)4(10,11)5(12,13)14/h1H
InChIKeyMLGUVWZBCNSDJX-UHFFFAOYSA-N
MW248.50 g/mol
LogP3.87
Rot. Bonds2

About 1-chloro-2,3,3,4,4,5,5,5-octafluoropent-1-ene

1-chloro-2,3,3,4,4,5,5,5-octafluoropent-1-ene (PubChem CID 151086807) has the molecular formula C5HClF8 and a molecular weight of 248.50 g/mol. Its IUPAC name is 1-chloro-2,3,3,4,4,5,5,5-octafluoropent-1-ene.

Molecular Properties

Compound Name1-chloro-2,3,3,4,4,5,5,5-octafluoropent-1-ene
PubChem CID151086807
Molecular FormulaC5HClF8
Molecular Weight248.50 g/mol
Exact Mass247.96
IUPAC Name1-chloro-2,3,3,4,4,5,5,5-octafluoropent-1-ene
SMILESFC(=CCl)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HClF8/c6-1-2(7)3(8,9)4(10,11)5(12,13)14/h1H
InChIKeyMLGUVWZBCNSDJX-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': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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2-chloro-3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-ene
CID 173142416
1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate
CID 139608619
2-chloro-3,3,4,4,5,5,5-heptafluoropent-1-ene
CID 2773786
1,8-dichloro-2,3,3,4,4-pentafluoro-5-(trifluoromethyl)oct-1-ene
CID 152666773
3-chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene
CID 134873275
(Z)-3,4,4,5,5,5-hexafluoropent-2-ene
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1,2,3,3,4,4,4-heptafluorobut-1-ene
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1,1,1,2,2,3,3,4,4,5,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-5-ene
CID 85237088
(Z)-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-ene-1-sulfonic acid
CID 165364863
3,3,4,4,5,5,6,6,7,7,8,11,12,12,13,13,14,14,15,15,16,16,16-tricosafluorohexadeca-8,10-dien-1-ol
CID 140934909

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3,3,4,4,5,5,5-octafluoropent-1-ene?
The IUPAC name of 1-chloro-2,3,3,4,4,5,5,5-octafluoropent-1-ene (CID 151086807) is 1-chloro-2,3,3,4,4,5,5,5-octafluoropent-1-ene.
What is the SMILES notation for 1-chloro-2,3,3,4,4,5,5,5-octafluoropent-1-ene?
The canonical SMILES for 1-chloro-2,3,3,4,4,5,5,5-octafluoropent-1-ene is FC(=CCl)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-chloro-2,3,3,4,4,5,5,5-octafluoropent-1-ene?
The InChIKey is MLGUVWZBCNSDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HClF8/c6-1-2(7)3(8,9)4(10,11)5(12,13)14/h1H.
What are the key properties of 1-chloro-2,3,3,4,4,5,5,5-octafluoropent-1-ene?
1-chloro-2,3,3,4,4,5,5,5-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 1-chloro-2,3,3,4,4,5,5,5-octafluoropent-1-ene is sourced from PubChem (CID 151086807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).