1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-one

C9H13F3O2 — CID 103214126

IUPAC1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-one
SMILESO=C(COCC(F)(F)F)CC1CCC1
InChIInChI=1S/C9H13F3O2/c10-9(11,12)6-14-5-8(13)4-7-2-1-3-7/h7H,1-6H2
InChIKeyHJMULQGTMXFZGE-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.32
Rot. Bonds5

About 1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-one

1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-one (PubChem CID 103214126) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-one
PubChem CID103214126
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-one
SMILESO=C(COCC(F)(F)F)CC1CCC1
InChIInChI=1S/C9H13F3O2/c10-9(11,12)6-14-5-8(13)4-7-2-1-3-7/h7H,1-6H2
InChIKeyHJMULQGTMXFZGE-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-Difluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 170420576
4-Methyl-7-(2,2,2-trifluoroethoxy)heptan-2-one
CID 64721838
1-Cyclopentyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanone
CID 102722515
1-Cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146808
1-Cyclobutyl-3-(2,2-difluoroethoxy)propan-1-one
CID 103147078
4-Ethyl-1-(2,2,2-trifluoroethoxy)octan-2-one
CID 103213935
1-Cyclohexyl-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103214007
4-Methyl-1-(2,2,2-trifluoroethoxy)heptan-2-one
CID 103214027
4-Methyl-1-(2,2,2-trifluoroethoxy)hexan-2-one
CID 103214031
1-Cyclopentyl-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103214036
4-Cyclopropyl-1-(2,2,2-trifluoroethoxy)butan-2-one
CID 103214177
4-Ethyl-1-(2,2,2-trifluoroethoxy)hexan-2-one
CID 103214335

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-one?
The IUPAC name of 1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-one (CID 103214126) is 1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-one.
What is the SMILES notation for 1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-one?
The canonical SMILES for 1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-one is O=C(COCC(F)(F)F)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-one?
The InChIKey is HJMULQGTMXFZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c10-9(11,12)6-14-5-8(13)4-7-2-1-3-7/h7H,1-6H2.
What are the key properties of 1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-one?
1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-one has a molecular weight of 210.19 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-one is sourced from PubChem (CID 103214126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).