4,4-difluoro-1-[2-(oxan-2-yloxy)cyclopentyl]octan-3-ol

C18H32F2O3 — CID 173153155

IUPAC4,4-difluoro-1-[2-(oxan-2-yloxy)cyclopentyl]octan-3-ol
SMILESCCCCC(F)(F)C(O)CCC1CCCC1OC1CCCCO1
InChIInChI=1S/C18H32F2O3/c1-2-3-12-18(19,20)16(21)11-10-14-7-6-8-15(14)23-17-9-4-5-13-22-17/h14-17,21H,2-13H2,1H3
InChIKeyGKKDHBSLTNHIMS-UHFFFAOYSA-N
MW334.45 g/mol
LogP4.66
Rot. Bonds9

About 4,4-difluoro-1-[2-(oxan-2-yloxy)cyclopentyl]octan-3-ol

4,4-difluoro-1-[2-(oxan-2-yloxy)cyclopentyl]octan-3-ol (PubChem CID 173153155) has the molecular formula C18H32F2O3 and a molecular weight of 334.45 g/mol. Its IUPAC name is 4,4-difluoro-1-[2-(oxan-2-yloxy)cyclopentyl]octan-3-ol.

Molecular Properties

Compound Name4,4-difluoro-1-[2-(oxan-2-yloxy)cyclopentyl]octan-3-ol
PubChem CID173153155
Molecular FormulaC18H32F2O3
Molecular Weight334.45 g/mol
Exact Mass334.23
IUPAC Name4,4-difluoro-1-[2-(oxan-2-yloxy)cyclopentyl]octan-3-ol
SMILESCCCCC(F)(F)C(O)CCC1CCCC1OC1CCCCO1
InChIInChI=1S/C18H32F2O3/c1-2-3-12-18(19,20)16(21)11-10-14-7-6-8-15(14)23-17-9-4-5-13-22-17/h14-17,21H,2-13H2,1H3
InChIKeyGKKDHBSLTNHIMS-UHFFFAOYSA-N
XLogP4.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-7-[(1R,2R,3R,5S)-2-(4,4-difluoro-3-hydroxyoctyl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
CID 15222228
[(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol
CID 98113125
benzyl (Z)-9-[(1R,2R,3R,5S)-2-(4,4-difluoro-3-hydroxyoctyl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]non-7-enoate
CID 139602821
(3aR,4R,5R,6aS)-4-(4,4-difluoro-3-hydroxy-7-methyloctyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 22884806
2-(4,4-difluoro-3-hydroxyoctyl)-6a-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-ol
CID 151150447
4,4-difluoro-1-(3-methylcyclopentyl)octan-3-ol
CID 129228274
7-[(1R,2R,3R,5S)-2-(4,4-difluoro-3-hydroxyoct-1-enyl)-3,5-bis(oxan-2-yloxy)cyclopentyl]heptanoic acid
CID 90964614
(Z)-9-[(1R,2R,5S)-2-(4,4-difluoro-1-hydroxyoctyl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]non-7-enoic acid
CID 67635587
(Z)-7-[(1R,2R,3R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorooctyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
CID 166451449
2-(oxan-2-yloxy)cyclopentan-1-ol
CID 86732994
(3aR,4R,5R,6aS)-4-(5,5-difluorooctyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 139652565
7-[(1R,2R,3R,5S)-2-(4,4-difluoro-3-oxooctyl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]heptanoic acid
CID 58601717

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[2-(oxan-2-yloxy)cyclopentyl]octan-3-ol?
The IUPAC name of 4,4-difluoro-1-[2-(oxan-2-yloxy)cyclopentyl]octan-3-ol (CID 173153155) is 4,4-difluoro-1-[2-(oxan-2-yloxy)cyclopentyl]octan-3-ol.
What is the SMILES notation for 4,4-difluoro-1-[2-(oxan-2-yloxy)cyclopentyl]octan-3-ol?
The canonical SMILES for 4,4-difluoro-1-[2-(oxan-2-yloxy)cyclopentyl]octan-3-ol is CCCCC(F)(F)C(O)CCC1CCCC1OC1CCCCO1.
What is the InChIKey of 4,4-difluoro-1-[2-(oxan-2-yloxy)cyclopentyl]octan-3-ol?
The InChIKey is GKKDHBSLTNHIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F2O3/c1-2-3-12-18(19,20)16(21)11-10-14-7-6-8-15(14)23-17-9-4-5-13-22-17/h14-17,21H,2-13H2,1H3.
What are the key properties of 4,4-difluoro-1-[2-(oxan-2-yloxy)cyclopentyl]octan-3-ol?
4,4-difluoro-1-[2-(oxan-2-yloxy)cyclopentyl]octan-3-ol has a molecular weight of 334.45 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[2-(oxan-2-yloxy)cyclopentyl]octan-3-ol is sourced from PubChem (CID 173153155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).