(3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

C9H15FO2 — CID 59065317

IUPAC(3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCC[C@@H]1[C@H]2CC(O)O[C@H]2C[C@H]1F
InChIInChI=1S/C9H15FO2/c1-2-5-6-3-9(11)12-8(6)4-7(5)10/h5-9,11H,2-4H2,1H3/t5-,6-,7-,8+,9?/m1/s1
InChIKeyNWXGLPAFSAQGNO-NBTWYFBKSA-N
MW174.21 g/mol
LogP1.48
Rot. Bonds1

About (3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

(3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (PubChem CID 59065317) has the molecular formula C9H15FO2 and a molecular weight of 174.21 g/mol. Its IUPAC name is (3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.

Molecular Properties

Compound Name(3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
PubChem CID59065317
Molecular FormulaC9H15FO2
Molecular Weight174.21 g/mol
Exact Mass174.11
IUPAC Name(3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCC[C@@H]1[C@H]2CC(O)O[C@H]2C[C@H]1F
InChIInChI=1S/C9H15FO2/c1-2-5-6-3-9(11)12-8(6)4-7(5)10/h5-9,11H,2-4H2,1H3/t5-,6-,7-,8+,9?/m1/s1
InChIKeyNWXGLPAFSAQGNO-NBTWYFBKSA-N
XLogP1.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,4R,5S,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 59956913
(3aR,4S)-4-(4,4-difluoro-3-hydroxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 71248644
(3aR,4S,6aS)-4-(4,4-difluoro-3-hydroxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 89952406
3-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 153756207
4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 22951157
2-oxabicyclo-[3.3.0]octan-3(R,S)-ol
CID 12645859
4-(3-hydroxy-3-methyloctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 21328891
4-[3-(2,3-dimethylbutan-2-yl)octyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 21328906
(3aR,4S,6aS)-4-(diethoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 56976391
(3aR,4S,5R)-4-(hydroxymethyl)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 58260975
(4R,5S,6aR)-5-methoxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 58400405
(4R,6aR)-5-methoxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 58400407

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The IUPAC name of (3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (CID 59065317) is (3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.
What is the SMILES notation for (3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The canonical SMILES for (3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is CC[C@@H]1[C@H]2CC(O)O[C@H]2C[C@H]1F.
What is the InChIKey of (3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The InChIKey is NWXGLPAFSAQGNO-NBTWYFBKSA-N. The full InChI is InChI=1S/C9H15FO2/c1-2-5-6-3-9(11)12-8(6)4-7(5)10/h5-9,11H,2-4H2,1H3/t5-,6-,7-,8+,9?/m1/s1.
What are the key properties of (3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
(3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol has a molecular weight of 174.21 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is sourced from PubChem (CID 59065317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).