(3E)-1,1,1,5,5,6,6,6-octafluoro-3-(1-fluoroethylidene)-4-methyl-4-(trifluoromethyl)hexan-2-one

C10H6F12O — CID 10547106

IUPAC(3E)-1,1,1,5,5,6,6,6-octafluoro-3-(1-fluoroethylidene)-4-methyl-4-(trifluoromethyl)hexan-2-one
SMILESC/C(F)=C(\C(=O)C(F)(F)F)C(C)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F12O/c1-3(11)4(5(23)7(12,13)14)6(2,9(17,18)19)8(15,16)10(20,21)22/h1-2H3/b4-3-
InChIKeyUGPFXYCCRWKFPK-ARJAWSKDSA-N
MW370.13 g/mol
LogP5.13
Rot. Bonds3

About (3E)-1,1,1,5,5,6,6,6-octafluoro-3-(1-fluoroethylidene)-4-methyl-4-(trifluoromethyl)hexan-2-one

(3E)-1,1,1,5,5,6,6,6-octafluoro-3-(1-fluoroethylidene)-4-methyl-4-(trifluoromethyl)hexan-2-one (PubChem CID 10547106) has the molecular formula C10H6F12O and a molecular weight of 370.13 g/mol. Its IUPAC name is (3E)-1,1,1,5,5,6,6,6-octafluoro-3-(1-fluoroethylidene)-4-methyl-4-(trifluoromethyl)hexan-2-one.

Molecular Properties

Compound Name(3E)-1,1,1,5,5,6,6,6-octafluoro-3-(1-fluoroethylidene)-4-methyl-4-(trifluoromethyl)hexan-2-one
PubChem CID10547106
Molecular FormulaC10H6F12O
Molecular Weight370.13 g/mol
Exact Mass370.02
IUPAC Name(3E)-1,1,1,5,5,6,6,6-octafluoro-3-(1-fluoroethylidene)-4-methyl-4-(trifluoromethyl)hexan-2-one
SMILESC/C(F)=C(\C(=O)C(F)(F)F)C(C)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F12O/c1-3(11)4(5(23)7(12,13)14)6(2,9(17,18)19)8(15,16)10(20,21)22/h1-2H3/b4-3-
InChIKeyUGPFXYCCRWKFPK-ARJAWSKDSA-N
XLogP5.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.13
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (3E)-1,1,1,5,5,6,6,6-octafluoro-3-(1-fluoroethylidene)-4-methyl-4-(trifluoromethyl)hexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
CID 2736186
(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-methylpent-3-en-2-one
CID 134899533
3,3,3-trifluoro-2-oxopropanoyl fluoride
CID 2782444
1,1,1-trifluoro-3-methylbut-3-en-2-one
CID 15366138
3,3,4-trifluoro-2,2,4-trimethylpentanoyl chloride
CID 129140711
1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene
CID 23440024
sodium;hydride;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
CID 173413742
4-hydroxy-3-(trifluoromethyl)pent-3-en-2-one
CID 130727216
1,1,1-trifluoro-3-hydroxy-4-methylpent-3-en-2-one
CID 163474865
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
(3Z)-1,1,4,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-(trifluoromethyl)penta-1,3-diene
CID 11189008
methanol;1,1,1-trifluoropropan-2-one
CID 143449036

Frequently Asked Questions

What is the IUPAC name of (3E)-1,1,1,5,5,6,6,6-octafluoro-3-(1-fluoroethylidene)-4-methyl-4-(trifluoromethyl)hexan-2-one?
The IUPAC name of (3E)-1,1,1,5,5,6,6,6-octafluoro-3-(1-fluoroethylidene)-4-methyl-4-(trifluoromethyl)hexan-2-one (CID 10547106) is (3E)-1,1,1,5,5,6,6,6-octafluoro-3-(1-fluoroethylidene)-4-methyl-4-(trifluoromethyl)hexan-2-one.
What is the SMILES notation for (3E)-1,1,1,5,5,6,6,6-octafluoro-3-(1-fluoroethylidene)-4-methyl-4-(trifluoromethyl)hexan-2-one?
The canonical SMILES for (3E)-1,1,1,5,5,6,6,6-octafluoro-3-(1-fluoroethylidene)-4-methyl-4-(trifluoromethyl)hexan-2-one is C/C(F)=C(\C(=O)C(F)(F)F)C(C)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of (3E)-1,1,1,5,5,6,6,6-octafluoro-3-(1-fluoroethylidene)-4-methyl-4-(trifluoromethyl)hexan-2-one?
The InChIKey is UGPFXYCCRWKFPK-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H6F12O/c1-3(11)4(5(23)7(12,13)14)6(2,9(17,18)19)8(15,16)10(20,21)22/h1-2H3/b4-3-.
What are the key properties of (3E)-1,1,1,5,5,6,6,6-octafluoro-3-(1-fluoroethylidene)-4-methyl-4-(trifluoromethyl)hexan-2-one?
(3E)-1,1,1,5,5,6,6,6-octafluoro-3-(1-fluoroethylidene)-4-methyl-4-(trifluoromethyl)hexan-2-one has a molecular weight of 370.13 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1,1,1,5,5,6,6,6-octafluoro-3-(1-fluoroethylidene)-4-methyl-4-(trifluoromethyl)hexan-2-one is sourced from PubChem (CID 10547106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).