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

C5H2ClF7 — CID 2773786

IUPAC2-chloro-3,3,4,4,5,5,5-heptafluoropent-1-ene
SMILESC=C(Cl)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H2ClF7/c1-2(6)3(7,8)4(9,10)5(11,12)13/h1H2
InChIKeyFISQXYDFCVEFII-UHFFFAOYSA-N
MW230.51 g/mol
LogP3.57
Rot. Bonds2

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

2-chloro-3,3,4,4,5,5,5-heptafluoropent-1-ene (PubChem CID 2773786) has the molecular formula C5H2ClF7 and a molecular weight of 230.51 g/mol. Its IUPAC name is 2-chloro-3,3,4,4,5,5,5-heptafluoropent-1-ene.

Molecular Properties

Compound Name2-chloro-3,3,4,4,5,5,5-heptafluoropent-1-ene
PubChem CID2773786
Molecular FormulaC5H2ClF7
Molecular Weight230.51 g/mol
Exact Mass229.97
IUPAC Name2-chloro-3,3,4,4,5,5,5-heptafluoropent-1-ene
SMILESC=C(Cl)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H2ClF7/c1-2(6)3(7,8)4(9,10)5(11,12)13/h1H2
InChIKeyFISQXYDFCVEFII-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.51
LogP ≤ 53.57
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

1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylidenenonane
CID 23437686
2-chloro-3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-ene
CID 173142416
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-10-methylidenedodecane
CID 175317846
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-dotriacontafluoroheptadec-1-ene
CID 162345633
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-tetracosafluorotridec-1-ene
CID 162345261
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-octadecafluorodec-1-ene
CID 175705428
1-chloro-2,3,3,4,4,5,5,5-octafluoropent-1-ene
CID 151086807
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl chloride
CID 2782569
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecanoyl chloride
CID 155662844
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate
CID 139608619
1,1,1,2,2,3,3,7,7,8,8,9,9,9-tetradecafluorononane-4,6-dione
CID 617328

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,3,4,4,5,5,5-heptafluoropent-1-ene?
The IUPAC name of 2-chloro-3,3,4,4,5,5,5-heptafluoropent-1-ene (CID 2773786) is 2-chloro-3,3,4,4,5,5,5-heptafluoropent-1-ene.
What is the SMILES notation for 2-chloro-3,3,4,4,5,5,5-heptafluoropent-1-ene?
The canonical SMILES for 2-chloro-3,3,4,4,5,5,5-heptafluoropent-1-ene is C=C(Cl)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-chloro-3,3,4,4,5,5,5-heptafluoropent-1-ene?
The InChIKey is FISQXYDFCVEFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF7/c1-2(6)3(7,8)4(9,10)5(11,12)13/h1H2.
What are the key properties of 2-chloro-3,3,4,4,5,5,5-heptafluoropent-1-ene?
2-chloro-3,3,4,4,5,5,5-heptafluoropent-1-ene has a molecular weight of 230.51 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,3,4,4,5,5,5-heptafluoropent-1-ene is sourced from PubChem (CID 2773786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).