1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-one

C9H12F6O2 — CID 102722495

IUPAC1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-one
SMILESCCC(C)C(=O)COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6O2/c1-3-5(2)6(16)4-17-7(8(10,11)12)9(13,14)15/h5,7H,3-4H2,1-2H3
InChIKeyFUBNCHJGJQZJJS-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.11
Rot. Bonds5

About 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-one

1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-one (PubChem CID 102722495) has the molecular formula C9H12F6O2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-one.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-one
PubChem CID102722495
Molecular FormulaC9H12F6O2
Molecular Weight266.18 g/mol
Exact Mass266.07
IUPAC Name1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-one
SMILESCCC(C)C(=O)COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6O2/c1-3-5(2)6(16)4-17-7(8(10,11)12)9(13,14)15/h5,7H,3-4H2,1-2H3
InChIKeyFUBNCHJGJQZJJS-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxypentan-2-one
CID 167150248
ethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate
CID 102722884
ethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanoate
CID 102722829
2-ethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)but-2-enoic acid
CID 102721459
methyl 2-methylbutanoate;1,1,1-trifluoroethane
CID 91439197
1,1-dimethoxy-5-methylheptane-2,4-dione
CID 165474571
methyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate
CID 102722814
(3-methyl-2-oxopentyl) (E)-but-2-enoate
CID 58048889
2,5-dimethylheptan-4-one
CID 12580686
1,1,1,2,3,3,3-heptafluoropropan-2-yl 2-methylbutanoate
CID 153303704
3-(tert-butylamino)-1-propan-2-yloxypentan-2-one
CID 134460862
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanamide
CID 102722798

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-one?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-one (CID 102722495) is 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-one.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-one?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-one is CCC(C)C(=O)COC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-one?
The InChIKey is FUBNCHJGJQZJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O2/c1-3-5(2)6(16)4-17-7(8(10,11)12)9(13,14)15/h5,7H,3-4H2,1-2H3.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-one?
1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-one has a molecular weight of 266.18 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-one is sourced from PubChem (CID 102722495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).