(E)-1,1,1,2,2,3,3-heptafluorodec-4-ene

C10H13F7 — CID 98041497

IUPAC(E)-1,1,1,2,2,3,3-heptafluorodec-4-ene
SMILESCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F7/c1-2-3-4-5-6-7-8(11,12)9(13,14)10(15,16)17/h6-7H,2-5H2,1H3/b7-6+
InChIKeyHMGKWDKYLWEYAV-VOTSOKGWSA-N
MW266.20 g/mol
LogP4.96
Rot. Bonds6

About (E)-1,1,1,2,2,3,3-heptafluorodec-4-ene

(E)-1,1,1,2,2,3,3-heptafluorodec-4-ene (PubChem CID 98041497) has the molecular formula C10H13F7 and a molecular weight of 266.20 g/mol. Its IUPAC name is (E)-1,1,1,2,2,3,3-heptafluorodec-4-ene.

Molecular Properties

Compound Name(E)-1,1,1,2,2,3,3-heptafluorodec-4-ene
PubChem CID98041497
Molecular FormulaC10H13F7
Molecular Weight266.20 g/mol
Exact Mass266.09
IUPAC Name(E)-1,1,1,2,2,3,3-heptafluorodec-4-ene
SMILESCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F7/c1-2-3-4-5-6-7-8(11,12)9(13,14)10(15,16)17/h6-7H,2-5H2,1H3/b7-6+
InChIKeyHMGKWDKYLWEYAV-VOTSOKGWSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,2,2,3,3-heptafluorodec-4-ene?
The IUPAC name of (E)-1,1,1,2,2,3,3-heptafluorodec-4-ene (CID 98041497) is (E)-1,1,1,2,2,3,3-heptafluorodec-4-ene.
What is the SMILES notation for (E)-1,1,1,2,2,3,3-heptafluorodec-4-ene?
The canonical SMILES for (E)-1,1,1,2,2,3,3-heptafluorodec-4-ene is CCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,2,2,3,3-heptafluorodec-4-ene?
The InChIKey is HMGKWDKYLWEYAV-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H13F7/c1-2-3-4-5-6-7-8(11,12)9(13,14)10(15,16)17/h6-7H,2-5H2,1H3/b7-6+.
What are the key properties of (E)-1,1,1,2,2,3,3-heptafluorodec-4-ene?
(E)-1,1,1,2,2,3,3-heptafluorodec-4-ene has a molecular weight of 266.20 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2,2,3,3-heptafluorodec-4-ene is sourced from PubChem (CID 98041497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).