2-[(3S)-4-ethyl-3-fluorocyclohexyl]-5-fluoro-2,3-dihydrofuran

C12H18F2O — CID 126545853

IUPAC2-[(3S)-4-ethyl-3-fluorocyclohexyl]-5-fluoro-2,3-dihydrofuran
SMILESCCC1CCC(C2CC=C(F)O2)C[C@@H]1F
InChIInChI=1S/C12H18F2O/c1-2-8-3-4-9(7-10(8)13)11-5-6-12(14)15-11/h6,8-11H,2-5,7H2,1H3/t8?,9?,10-,11?/m0/s1
InChIKeyUHUVIFVSKFIXGG-MWJCJQSMSA-N
MW216.27 g/mol
LogP3.75
Rot. Bonds2

About 2-[(3S)-4-ethyl-3-fluorocyclohexyl]-5-fluoro-2,3-dihydrofuran

2-[(3S)-4-ethyl-3-fluorocyclohexyl]-5-fluoro-2,3-dihydrofuran (PubChem CID 126545853) has the molecular formula C12H18F2O and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-[(3S)-4-ethyl-3-fluorocyclohexyl]-5-fluoro-2,3-dihydrofuran.

Molecular Properties

Compound Name2-[(3S)-4-ethyl-3-fluorocyclohexyl]-5-fluoro-2,3-dihydrofuran
PubChem CID126545853
Molecular FormulaC12H18F2O
Molecular Weight216.27 g/mol
Exact Mass216.13
IUPAC Name2-[(3S)-4-ethyl-3-fluorocyclohexyl]-5-fluoro-2,3-dihydrofuran
SMILESCCC1CCC(C2CC=C(F)O2)C[C@@H]1F
InChIInChI=1S/C12H18F2O/c1-2-8-3-4-9(7-10(8)13)11-5-6-12(14)15-11/h6,8-11H,2-5,7H2,1H3/t8?,9?,10-,11?/m0/s1
InChIKeyUHUVIFVSKFIXGG-MWJCJQSMSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-ethyl-3-fluorocyclohexyl]-5-fluoro-2,3-dihydrofuran?
The IUPAC name of 2-[(3S)-4-ethyl-3-fluorocyclohexyl]-5-fluoro-2,3-dihydrofuran (CID 126545853) is 2-[(3S)-4-ethyl-3-fluorocyclohexyl]-5-fluoro-2,3-dihydrofuran.
What is the SMILES notation for 2-[(3S)-4-ethyl-3-fluorocyclohexyl]-5-fluoro-2,3-dihydrofuran?
The canonical SMILES for 2-[(3S)-4-ethyl-3-fluorocyclohexyl]-5-fluoro-2,3-dihydrofuran is CCC1CCC(C2CC=C(F)O2)C[C@@H]1F.
What is the InChIKey of 2-[(3S)-4-ethyl-3-fluorocyclohexyl]-5-fluoro-2,3-dihydrofuran?
The InChIKey is UHUVIFVSKFIXGG-MWJCJQSMSA-N. The full InChI is InChI=1S/C12H18F2O/c1-2-8-3-4-9(7-10(8)13)11-5-6-12(14)15-11/h6,8-11H,2-5,7H2,1H3/t8?,9?,10-,11?/m0/s1.
What are the key properties of 2-[(3S)-4-ethyl-3-fluorocyclohexyl]-5-fluoro-2,3-dihydrofuran?
2-[(3S)-4-ethyl-3-fluorocyclohexyl]-5-fluoro-2,3-dihydrofuran has a molecular weight of 216.27 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-ethyl-3-fluorocyclohexyl]-5-fluoro-2,3-dihydrofuran is sourced from PubChem (CID 126545853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).