(E)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododec-4-ene

C12H9F15 — CID 98453175

IUPAC(E)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododec-4-ene
SMILESCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H9F15/c1-2-3-4-5-6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h4-5H,2-3H2,1H3/b5-4+
InChIKeyDEQOWOWYUXHCKY-SNAWJCMRSA-N
MW438.17 g/mol
LogP6.72
Rot. Bonds8

About (E)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododec-4-ene

(E)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododec-4-ene (PubChem CID 98453175) has the molecular formula C12H9F15 and a molecular weight of 438.17 g/mol. Its IUPAC name is (E)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododec-4-ene.

Molecular Properties

Compound Name(E)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododec-4-ene
PubChem CID98453175
Molecular FormulaC12H9F15
Molecular Weight438.17 g/mol
Exact Mass438.05
IUPAC Name(E)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododec-4-ene
SMILESCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H9F15/c1-2-3-4-5-6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h4-5H,2-3H2,1H3/b5-4+
InChIKeyDEQOWOWYUXHCKY-SNAWJCMRSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.17
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododec-4-ene with MolForge

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Related Compounds

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1-ethoxy-4,4,5,5,6,6,7,7,7-nonafluorohept-2-ene
CID 139974730
(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene
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3,3-bis(trifluoromethyl)oct-4-ene
CID 151320386
(Z)-7,7,8,8,9,9,10,10,11,11,12,12-dodecafluorododec-5-ene
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1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-docosafluorododec-1-ene
CID 87484232
1,3,3,4,4,5,5,6,6,6-decafluorohex-1-ene
CID 87266464
(E)-2,2-dimethylhept-3-ene
CID 5352650
4,4,5,5,6,6,6-heptafluoro-1-methylsulfanylhex-2-ene
CID 91562919
5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorononadec-3-ene
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Frequently Asked Questions

What is the IUPAC name of (E)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododec-4-ene?
The IUPAC name of (E)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododec-4-ene (CID 98453175) is (E)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododec-4-ene.
What is the SMILES notation for (E)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododec-4-ene?
The canonical SMILES for (E)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododec-4-ene is CCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododec-4-ene?
The InChIKey is DEQOWOWYUXHCKY-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H9F15/c1-2-3-4-5-6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h4-5H,2-3H2,1H3/b5-4+.
What are the key properties of (E)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododec-4-ene?
(E)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododec-4-ene has a molecular weight of 438.17 g/mol, XLogP of 6.72, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododec-4-ene is sourced from PubChem (CID 98453175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).