(3R)-3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one

C8H8F6O2 — CID 102305750

IUPAC(3R)-3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one
SMILESCCO[C@@H]1CC(=O)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6O2/c1-2-16-5-3-4(15)6(5,7(9,10)11)8(12,13)14/h5H,2-3H2,1H3/t5-/m1/s1
InChIKeyOYVGSUMIKWDJGD-RXMQYKEDSA-N
MW250.14 g/mol
LogP2.48
Rot. Bonds2

About (3R)-3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one

(3R)-3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one (PubChem CID 102305750) has the molecular formula C8H8F6O2 and a molecular weight of 250.14 g/mol. Its IUPAC name is (3R)-3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one.

Molecular Properties

Compound Name(3R)-3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one
PubChem CID102305750
Molecular FormulaC8H8F6O2
Molecular Weight250.14 g/mol
Exact Mass250.04
IUPAC Name(3R)-3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one
SMILESCCO[C@@H]1CC(=O)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6O2/c1-2-16-5-3-4(15)6(5,7(9,10)11)8(12,13)14/h5H,2-3H2,1H3/t5-/m1/s1
InChIKeyOYVGSUMIKWDJGD-RXMQYKEDSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-2-ethyl-2-methylcyclobutan-1-one
CID 65170456
2-chloro-3-ethoxy-2-methylcyclobutan-1-one
CID 130038321
(1R,4R)-1-ethoxy-5-oxaspiro[3.4]octan-3-one
CID 97184545
(4R,5S)-5-ethoxy-4-methyl-4-(trifluoromethyl)oxolan-2-one
CID 131848912
2,2-diethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-one
CID 66367028
1-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-3-one
CID 66366798
1-(2-ethoxyethoxy)spiro[3.4]octan-3-one
CID 66367213
(3aR,7aR)-4-ethoxy-3a-hydroxy-2,3,4,5,7,7a-hexahydro-1-benzofuran-6-one
CID 154790830
2-ethyl-2-methyl-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 66368266
ethyl 6-ethoxy-1-hydroxy-4-oxocyclohex-2-ene-1-carboxylate
CID 90837162
(3S)-3-ethoxy-1,1,2,2-tetrafluorocyclobutane
CID 174329394
3-(3,3-dimethylbutoxy)-2,2-dimethylcyclobutan-1-one
CID 66366862

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one?
The IUPAC name of (3R)-3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one (CID 102305750) is (3R)-3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one.
What is the SMILES notation for (3R)-3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one?
The canonical SMILES for (3R)-3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one is CCO[C@@H]1CC(=O)C1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (3R)-3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one?
The InChIKey is OYVGSUMIKWDJGD-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H8F6O2/c1-2-16-5-3-4(15)6(5,7(9,10)11)8(12,13)14/h5H,2-3H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one?
(3R)-3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one has a molecular weight of 250.14 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one is sourced from PubChem (CID 102305750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).