1,1,1,3,4,5,5,6,6,6-decafluorohex-3-en-2-one

C6F10O — CID 91153512

IUPAC1,1,1,3,4,5,5,6,6,6-decafluorohex-3-en-2-one
SMILESO=C(C(F)=C(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F10O/c7-1(3(17)5(11,12)13)2(8)4(9,10)6(14,15)16
InChIKeyNNLOEQYKNGKQBN-UHFFFAOYSA-N
MW278.05 g/mol
LogP3.47
Rot. Bonds2

About 1,1,1,3,4,5,5,6,6,6-decafluorohex-3-en-2-one

1,1,1,3,4,5,5,6,6,6-decafluorohex-3-en-2-one (PubChem CID 91153512) has the molecular formula C6F10O and a molecular weight of 278.05 g/mol. Its IUPAC name is 1,1,1,3,4,5,5,6,6,6-decafluorohex-3-en-2-one.

Molecular Properties

Compound Name1,1,1,3,4,5,5,6,6,6-decafluorohex-3-en-2-one
PubChem CID91153512
Molecular FormulaC6F10O
Molecular Weight278.05 g/mol
Exact Mass277.98
IUPAC Name1,1,1,3,4,5,5,6,6,6-decafluorohex-3-en-2-one
SMILESO=C(C(F)=C(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F10O/c7-1(3(17)5(11,12)13)2(8)4(9,10)6(14,15)16
InChIKeyNNLOEQYKNGKQBN-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.05
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11-hexadecafluorododeca-2,10-dienedioic acid
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(2E,4E)-2,3,4,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptacosafluorohexadeca-2,4-dienoic acid
CID 163324826
(2E,4E)-2,3,4,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundeca-2,4-dienoic acid
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2,3,4,4,4-pentafluorobut-2-enoyl fluoride
CID 56616354
1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-2,3-dione
CID 12567521
2,3,4,4,5,5,6,6,7,7,7-undecafluorohept-2-enoyl bromide
CID 87352429
3,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-3-en-2-one
CID 71329203
1,1,2,3,4,4,5,5,5-nonafluoro-1-(1,1,2,3,4,4,5,5,5-nonafluoropent-2-enoxy)pent-2-ene
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Pentafluoropropanoic acid sodium
CID 71650614

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,4,5,5,6,6,6-decafluorohex-3-en-2-one?
The IUPAC name of 1,1,1,3,4,5,5,6,6,6-decafluorohex-3-en-2-one (CID 91153512) is 1,1,1,3,4,5,5,6,6,6-decafluorohex-3-en-2-one.
What is the SMILES notation for 1,1,1,3,4,5,5,6,6,6-decafluorohex-3-en-2-one?
The canonical SMILES for 1,1,1,3,4,5,5,6,6,6-decafluorohex-3-en-2-one is O=C(C(F)=C(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,4,5,5,6,6,6-decafluorohex-3-en-2-one?
The InChIKey is NNLOEQYKNGKQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F10O/c7-1(3(17)5(11,12)13)2(8)4(9,10)6(14,15)16.
What are the key properties of 1,1,1,3,4,5,5,6,6,6-decafluorohex-3-en-2-one?
1,1,1,3,4,5,5,6,6,6-decafluorohex-3-en-2-one has a molecular weight of 278.05 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,4,5,5,6,6,6-decafluorohex-3-en-2-one is sourced from PubChem (CID 91153512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).