2,2,4,4,6,6,8,8,9,10-decafluoroadamantane-1,3,5,7-tetrol

C10H6F10O4 — CID 89354579

IUPAC2,2,4,4,6,6,8,8,9,10-decafluoroadamantane-1,3,5,7-tetrol
SMILESOC12C(F)C3(O)C(F)(F)C(O)(C(F)C(O)(C1(F)F)C3(F)F)C2(F)F
InChIInChI=1S/C10H6F10O4/c11-1-3(21)7(13,14)5(23)2(12)6(24,8(3,15)16)10(19,20)4(1,22)9(5,17)18/h1-2,21-24H
InChIKeySTEDJQGXPQQGDA-UHFFFAOYSA-N
MW380.13 g/mol
LogP0.17
Rot. Bonds

About 2,2,4,4,6,6,8,8,9,10-decafluoroadamantane-1,3,5,7-tetrol

2,2,4,4,6,6,8,8,9,10-decafluoroadamantane-1,3,5,7-tetrol (PubChem CID 89354579) has the molecular formula C10H6F10O4 and a molecular weight of 380.13 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8,9,10-decafluoroadamantane-1,3,5,7-tetrol.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8,9,10-decafluoroadamantane-1,3,5,7-tetrol
PubChem CID89354579
Molecular FormulaC10H6F10O4
Molecular Weight380.13 g/mol
Exact Mass380.01
IUPAC Name2,2,4,4,6,6,8,8,9,10-decafluoroadamantane-1,3,5,7-tetrol
SMILESOC12C(F)C3(O)C(F)(F)C(O)(C(F)C(O)(C1(F)F)C3(F)F)C2(F)F
InChIInChI=1S/C10H6F10O4/c11-1-3(21)7(13,14)5(23)2(12)6(24,8(3,15)16)10(19,20)4(1,22)9(5,17)18/h1-2,21-24H
InChIKeySTEDJQGXPQQGDA-UHFFFAOYSA-N
XLogP0.17
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.13
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,4,4,6,6,8,8,9,9,10-undecafluoroadamantane-1,3,5,7-tetrol
CID 89354580
1,2,2,3,3,4-hexafluorocyclobutan-1-ol
CID 91449587
1,4-difluorocyclobut-2-yn-1-ol
CID 139484432
1,2,2,3,3,4-hexafluorocyclobutane-1-carbonyl chloride
CID 162536529
1,1,2,2,3,3,4,5,5,6-decafluorocyclohexane
CID 23233742
2,3,4,5-tetrafluorocyclohexa-1,5-diene-1,4-diol
CID 89420440
1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 2778426
(4R)-1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 167169999
1,2-difluorocyclobutan-1-ol
CID 54197601
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-triacontafluorocyclopentadecane
CID 162355786
1,2,3,4,5,6-hexafluorocyclohexa-2,4-dien-1-ol
CID 175095832
1,2,2,3,4,4,5,6-octafluorocyclohexane-1,3,5-tricarbonyl fluoride
CID 58854936

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8,8,9,10-decafluoroadamantane-1,3,5,7-tetrol?
The IUPAC name of 2,2,4,4,6,6,8,8,9,10-decafluoroadamantane-1,3,5,7-tetrol (CID 89354579) is 2,2,4,4,6,6,8,8,9,10-decafluoroadamantane-1,3,5,7-tetrol.
What is the SMILES notation for 2,2,4,4,6,6,8,8,9,10-decafluoroadamantane-1,3,5,7-tetrol?
The canonical SMILES for 2,2,4,4,6,6,8,8,9,10-decafluoroadamantane-1,3,5,7-tetrol is OC12C(F)C3(O)C(F)(F)C(O)(C(F)C(O)(C1(F)F)C3(F)F)C2(F)F.
What is the InChIKey of 2,2,4,4,6,6,8,8,9,10-decafluoroadamantane-1,3,5,7-tetrol?
The InChIKey is STEDJQGXPQQGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F10O4/c11-1-3(21)7(13,14)5(23)2(12)6(24,8(3,15)16)10(19,20)4(1,22)9(5,17)18/h1-2,21-24H.
What are the key properties of 2,2,4,4,6,6,8,8,9,10-decafluoroadamantane-1,3,5,7-tetrol?
2,2,4,4,6,6,8,8,9,10-decafluoroadamantane-1,3,5,7-tetrol has a molecular weight of 380.13 g/mol, XLogP of 0.17, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8,9,10-decafluoroadamantane-1,3,5,7-tetrol is sourced from PubChem (CID 89354579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).