8,8,8-trifluoro-3-methoxy-3-methyloctan-4-one

C10H17F3O2 — CID 116746532

IUPAC8,8,8-trifluoro-3-methoxy-3-methyloctan-4-one
SMILESCCC(C)(OC)C(=O)CCCC(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-4-9(2,15-3)8(14)6-5-7-10(11,12)13/h4-7H2,1-3H3
InChIKeyZZZQDLZZGZMGOF-UHFFFAOYSA-N
MW226.24 g/mol
LogP3.10
Rot. Bonds6

About 8,8,8-trifluoro-3-methoxy-3-methyloctan-4-one

8,8,8-trifluoro-3-methoxy-3-methyloctan-4-one (PubChem CID 116746532) has the molecular formula C10H17F3O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 8,8,8-trifluoro-3-methoxy-3-methyloctan-4-one.

Molecular Properties

Compound Name8,8,8-trifluoro-3-methoxy-3-methyloctan-4-one
PubChem CID116746532
Molecular FormulaC10H17F3O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name8,8,8-trifluoro-3-methoxy-3-methyloctan-4-one
SMILESCCC(C)(OC)C(=O)CCCC(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-4-9(2,15-3)8(14)6-5-7-10(11,12)13/h4-7H2,1-3H3
InChIKeyZZZQDLZZGZMGOF-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-3-methyloctan-4-one
CID 116747000
7,7,7-trifluoro-2-methyl-2-(methylamino)heptan-3-one
CID 116566472
3-ethoxy-3-methyltridecan-4-one
CID 116746962
6-ethyl-3-methoxy-3-methyloctan-4-one
CID 116746584
7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one
CID 113326846
1-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one
CID 116565331
methyl 3-[4-[4-[6-[3-[4-(4-methoxy-4-methyl-3-oxohexyl)piperazin-1-yl]propanoyloxy]hexoxy]-4-methyl-3-oxohexyl]piperazin-1-yl]propanoate
CID 167059951
5,5,5-trifluoro-N-(methoxymethyl)pentanamide
CID 87257308
methyl (Z)-7,7,7-trifluoro-3-hydroxyhept-2-enoate
CID 134893910
3-methoxy-3-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one
CID 116746756
4-methoxy-4-methyl-1-thiophen-2-ylhexan-3-one
CID 116746515
2-amino-8,8,8-trifluoro-2-methyloctan-4-one
CID 116581149

Frequently Asked Questions

What is the IUPAC name of 8,8,8-trifluoro-3-methoxy-3-methyloctan-4-one?
The IUPAC name of 8,8,8-trifluoro-3-methoxy-3-methyloctan-4-one (CID 116746532) is 8,8,8-trifluoro-3-methoxy-3-methyloctan-4-one.
What is the SMILES notation for 8,8,8-trifluoro-3-methoxy-3-methyloctan-4-one?
The canonical SMILES for 8,8,8-trifluoro-3-methoxy-3-methyloctan-4-one is CCC(C)(OC)C(=O)CCCC(F)(F)F.
What is the InChIKey of 8,8,8-trifluoro-3-methoxy-3-methyloctan-4-one?
The InChIKey is ZZZQDLZZGZMGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O2/c1-4-9(2,15-3)8(14)6-5-7-10(11,12)13/h4-7H2,1-3H3.
What are the key properties of 8,8,8-trifluoro-3-methoxy-3-methyloctan-4-one?
8,8,8-trifluoro-3-methoxy-3-methyloctan-4-one has a molecular weight of 226.24 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,8-trifluoro-3-methoxy-3-methyloctan-4-one is sourced from PubChem (CID 116746532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).