(1R,3R,5R)-1-ethyl-3-fluorobicyclo[3.1.0]hexan-2-one

C8H11FO — CID 129156095

IUPAC(1R,3R,5R)-1-ethyl-3-fluorobicyclo[3.1.0]hexan-2-one
SMILESCC[C@@]12C[C@@H]1C[C@@H](F)C2=O
InChIInChI=1S/C8H11FO/c1-2-8-4-5(8)3-6(9)7(8)10/h5-6H,2-4H2,1H3/t5-,6+,8+/m0/s1
InChIKeyDTSBTEDBRUVBSR-SHYZEUOFSA-N
MW142.17 g/mol
LogP1.71
Rot. Bonds1

About (1R,3R,5R)-1-ethyl-3-fluorobicyclo[3.1.0]hexan-2-one

(1R,3R,5R)-1-ethyl-3-fluorobicyclo[3.1.0]hexan-2-one (PubChem CID 129156095) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is (1R,3R,5R)-1-ethyl-3-fluorobicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1R,3R,5R)-1-ethyl-3-fluorobicyclo[3.1.0]hexan-2-one
PubChem CID129156095
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name(1R,3R,5R)-1-ethyl-3-fluorobicyclo[3.1.0]hexan-2-one
SMILESCC[C@@]12C[C@@H]1C[C@@H](F)C2=O
InChIInChI=1S/C8H11FO/c1-2-8-4-5(8)3-6(9)7(8)10/h5-6H,2-4H2,1H3/t5-,6+,8+/m0/s1
InChIKeyDTSBTEDBRUVBSR-SHYZEUOFSA-N
XLogP1.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

alpha, beta-Thujone
CID 10931629
Thujone
CID 261491
beta-Thujone
CID 91456
3-Thujanone
CID 11027
Bicyclo(3.1.0)hexan-2-one, 5-(1-methylethyl)-
CID 92784
(-)-beta-Thujone
CID 6553876
(+)-alpha-Thujone
CID 12304612
d-Isothujone
CID 249286
Dihydroumbellulone
CID 565267
Npc44671
CID 6432452
3-Fluorcampher
CID 74024047
Spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-6-one
CID 15761091

Frequently Asked Questions

What is the IUPAC name of (1R,3R,5R)-1-ethyl-3-fluorobicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1R,3R,5R)-1-ethyl-3-fluorobicyclo[3.1.0]hexan-2-one (CID 129156095) is (1R,3R,5R)-1-ethyl-3-fluorobicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1R,3R,5R)-1-ethyl-3-fluorobicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1R,3R,5R)-1-ethyl-3-fluorobicyclo[3.1.0]hexan-2-one is CC[C@@]12C[C@@H]1C[C@@H](F)C2=O.
What is the InChIKey of (1R,3R,5R)-1-ethyl-3-fluorobicyclo[3.1.0]hexan-2-one?
The InChIKey is DTSBTEDBRUVBSR-SHYZEUOFSA-N. The full InChI is InChI=1S/C8H11FO/c1-2-8-4-5(8)3-6(9)7(8)10/h5-6H,2-4H2,1H3/t5-,6+,8+/m0/s1.
What are the key properties of (1R,3R,5R)-1-ethyl-3-fluorobicyclo[3.1.0]hexan-2-one?
(1R,3R,5R)-1-ethyl-3-fluorobicyclo[3.1.0]hexan-2-one has a molecular weight of 142.17 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5R)-1-ethyl-3-fluorobicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 129156095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).