1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanone

C8H11F3O2 — CID 103214424

IUPAC1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)C1CCC1
InChIInChI=1S/C8H11F3O2/c9-8(10,11)5-13-4-7(12)6-2-1-3-6/h6H,1-5H2
InChIKeyNFXKXYPDNNYZHS-UHFFFAOYSA-N
MW196.17 g/mol
LogP1.93
Rot. Bonds4

About 1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanone

1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103214424) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103214424
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)C1CCC1
InChIInChI=1S/C8H11F3O2/c9-8(10,11)5-13-4-7(12)6-2-1-3-6/h6H,1-5H2
InChIKeyNFXKXYPDNNYZHS-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethoxy-1,1-difluoro-3-methylpentan-2-one
CID 123251590
[2-(3,3-Difluorocyclobutyl)-2-oxoethyl] hypoiodite
CID 166744203
1-(3,3-Difluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 170420576
3-Methyl-1-(2,2,2-trifluoroethoxy)pentan-2-one
CID 80448399
1-(2,2-Difluoroethoxy)-3-methylpentan-2-one
CID 82006906
3-Methyl-1-(3,3,3-trifluoropropoxy)pentan-2-one
CID 82955717
5-Methyl-1-(2,2,2-trifluoroethoxy)hexan-2-one
CID 103213986
4-Methyl-1-(2,2,2-trifluoroethoxy)hexan-2-one
CID 103214031
1-(Oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103214034
1-Cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103214126
1-Cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103214138
3-Ethyl-1-(2,2,2-trifluoroethoxy)pentan-2-one
CID 103214267

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanone (CID 103214424) is 1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is NFXKXYPDNNYZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O2/c9-8(10,11)5-13-4-7(12)6-2-1-3-6/h6H,1-5H2.
What are the key properties of 1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanone?
1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 196.17 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103214424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).