2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-phenylcyclohexan-1-one

C15H12F6O — CID 155397135

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-phenylcyclohexan-1-one
SMILESO=C1CCC(c2ccccc2)CC1=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H12F6O/c16-14(17,18)13(15(19,20)21)11-8-10(6-7-12(11)22)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyZBLISLABOYIBDA-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.94
Rot. Bonds1

About 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-phenylcyclohexan-1-one

2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-phenylcyclohexan-1-one (PubChem CID 155397135) has the molecular formula C15H12F6O and a molecular weight of 322.25 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-phenylcyclohexan-1-one.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-phenylcyclohexan-1-one
PubChem CID155397135
Molecular FormulaC15H12F6O
Molecular Weight322.25 g/mol
Exact Mass322.08
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-phenylcyclohexan-1-one
SMILESO=C1CCC(c2ccccc2)CC1=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H12F6O/c16-14(17,18)13(15(19,20)21)11-8-10(6-7-12(11)22)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyZBLISLABOYIBDA-UHFFFAOYSA-N
XLogP4.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(1,2,2,3,3,4,4,4-octafluorobutylidene)-4-phenylcyclohexan-1-one
CID 164806133
(2Z)-2-(8-bromo-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorooctylidene)-4-phenylcyclohexan-1-one
CID 165094755
trans-(2R,4R)-4-phenyl-2-(2,2,2-trifluoroacetyl)cyclohexan-1-one
CID 98107848
5-phenyloxocane-2,8-dione
CID 83888033
(8S)-8-phenylcyclodecane-1,3,6-trione
CID 125480091
(3R)-3-phenylcyclohexan-1-one
CID 11041212
ethane;methanol;4-phenylcyclohexan-1-one
CID 91076562
4-phenyl-2,6-bis(2,2,2-trifluoroacetyl)cyclohexan-1-one
CID 57366915
trans-(2S,5R)-2,5-diphenylcyclohexan-1-one
CID 134846189
benzene;cyclopropylbenzene
CID 144638417
2-methylidene-5-phenylcyclohexane-1,3-dione
CID 54567672
[(3Z)-3-benzylidenecyclopentyl]benzene
CID 15808298

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-phenylcyclohexan-1-one?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-phenylcyclohexan-1-one (CID 155397135) is 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-phenylcyclohexan-1-one.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-phenylcyclohexan-1-one?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-phenylcyclohexan-1-one is O=C1CCC(c2ccccc2)CC1=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-phenylcyclohexan-1-one?
The InChIKey is ZBLISLABOYIBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F6O/c16-14(17,18)13(15(19,20)21)11-8-10(6-7-12(11)22)9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-phenylcyclohexan-1-one?
2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-phenylcyclohexan-1-one has a molecular weight of 322.25 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-phenylcyclohexan-1-one is sourced from PubChem (CID 155397135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).