8a,9a-difluoro-1,2,3,4,5,6,7,8,9,10-decahydroanthracene-2,3,4a,6,7,10a-hexol

C14H22F2O6 — CID 75237381

IUPAC8a,9a-difluoro-1,2,3,4,5,6,7,8,9,10-decahydroanthracene-2,3,4a,6,7,10a-hexol
SMILESOC1CC2(O)CC3(O)CC(O)C(O)CC3(F)CC2(F)CC1O
InChIInChI=1S/C14H22F2O6/c15-11-1-7(17)9(19)3-13(11,21)6-14(22)4-10(20)8(18)2-12(14,16)5-11/h7-10,17-22H,1-6H2
InChIKeyGCKRMAOCVATTDP-UHFFFAOYSA-N
MW324.32 g/mol
LogP-1.31
Rot. Bonds

About 8a,9a-difluoro-1,2,3,4,5,6,7,8,9,10-decahydroanthracene-2,3,4a,6,7,10a-hexol

8a,9a-difluoro-1,2,3,4,5,6,7,8,9,10-decahydroanthracene-2,3,4a,6,7,10a-hexol (PubChem CID 75237381) has the molecular formula C14H22F2O6 and a molecular weight of 324.32 g/mol. Its IUPAC name is 8a,9a-difluoro-1,2,3,4,5,6,7,8,9,10-decahydroanthracene-2,3,4a,6,7,10a-hexol.

Molecular Properties

Compound Name8a,9a-difluoro-1,2,3,4,5,6,7,8,9,10-decahydroanthracene-2,3,4a,6,7,10a-hexol
PubChem CID75237381
Molecular FormulaC14H22F2O6
Molecular Weight324.32 g/mol
Exact Mass324.14
IUPAC Name8a,9a-difluoro-1,2,3,4,5,6,7,8,9,10-decahydroanthracene-2,3,4a,6,7,10a-hexol
SMILESOC1CC2(O)CC3(O)CC(O)C(O)CC3(F)CC2(F)CC1O
InChIInChI=1S/C14H22F2O6/c15-11-1-7(17)9(19)3-13(11,21)6-14(22)4-10(20)8(18)2-12(14,16)5-11/h7-10,17-22H,1-6H2
InChIKeyGCKRMAOCVATTDP-UHFFFAOYSA-N
XLogP-1.31
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.32
LogP ≤ 5-1.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8a,9a-difluoro-1,2,3,4,5,6,7,8,9,10-decahydroanthracene-2,3,4a,6,7,10a-hexol?
The IUPAC name of 8a,9a-difluoro-1,2,3,4,5,6,7,8,9,10-decahydroanthracene-2,3,4a,6,7,10a-hexol (CID 75237381) is 8a,9a-difluoro-1,2,3,4,5,6,7,8,9,10-decahydroanthracene-2,3,4a,6,7,10a-hexol.
What is the SMILES notation for 8a,9a-difluoro-1,2,3,4,5,6,7,8,9,10-decahydroanthracene-2,3,4a,6,7,10a-hexol?
The canonical SMILES for 8a,9a-difluoro-1,2,3,4,5,6,7,8,9,10-decahydroanthracene-2,3,4a,6,7,10a-hexol is OC1CC2(O)CC3(O)CC(O)C(O)CC3(F)CC2(F)CC1O.
What is the InChIKey of 8a,9a-difluoro-1,2,3,4,5,6,7,8,9,10-decahydroanthracene-2,3,4a,6,7,10a-hexol?
The InChIKey is GCKRMAOCVATTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2O6/c15-11-1-7(17)9(19)3-13(11,21)6-14(22)4-10(20)8(18)2-12(14,16)5-11/h7-10,17-22H,1-6H2.
What are the key properties of 8a,9a-difluoro-1,2,3,4,5,6,7,8,9,10-decahydroanthracene-2,3,4a,6,7,10a-hexol?
8a,9a-difluoro-1,2,3,4,5,6,7,8,9,10-decahydroanthracene-2,3,4a,6,7,10a-hexol has a molecular weight of 324.32 g/mol, XLogP of -1.31, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8a,9a-difluoro-1,2,3,4,5,6,7,8,9,10-decahydroanthracene-2,3,4a,6,7,10a-hexol is sourced from PubChem (CID 75237381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).