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

C10H5F11O4 — CID 89354580

IUPAC2,2,4,4,6,6,8,8,9,9,10-undecafluoroadamantane-1,3,5,7-tetrol
SMILESOC12C(F)C3(O)C(F)(F)C(O)(C1(F)F)C(F)(F)C(O)(C2(F)F)C3(F)F
InChIInChI=1S/C10H5F11O4/c11-1-2(22)6(12,13)4(24)8(16,17)3(1,23)9(18,19)5(25,7(2,14)15)10(4,20)21/h1,22-25H
InChIKeyJXNANFQOJRPBDX-UHFFFAOYSA-N
MW398.12 g/mol
LogP0.47
Rot. Bonds

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

2,2,4,4,6,6,8,8,9,9,10-undecafluoroadamantane-1,3,5,7-tetrol (PubChem CID 89354580) has the molecular formula C10H5F11O4 and a molecular weight of 398.12 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8,9,9,10-undecafluoroadamantane-1,3,5,7-tetrol.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8,9,9,10-undecafluoroadamantane-1,3,5,7-tetrol
PubChem CID89354580
Molecular FormulaC10H5F11O4
Molecular Weight398.12 g/mol
Exact Mass398.00
IUPAC Name2,2,4,4,6,6,8,8,9,9,10-undecafluoroadamantane-1,3,5,7-tetrol
SMILESOC12C(F)C3(O)C(F)(F)C(O)(C1(F)F)C(F)(F)C(O)(C2(F)F)C3(F)F
InChIInChI=1S/C10H5F11O4/c11-1-2(22)6(12,13)4(24)8(16,17)3(1,23)9(18,19)5(25,7(2,14)15)10(4,20)21/h1,22-25H
InChIKeyJXNANFQOJRPBDX-UHFFFAOYSA-N
XLogP0.47
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.12
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,4,4,6,6,8,8,9,10-decafluoroadamantane-1,3,5,7-tetrol
CID 89354579
1,2,2,3,3,4-hexafluorocyclobutan-1-ol
CID 91449587
1,4-difluorocyclobut-2-yn-1-ol
CID 139484432
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
1,2,2,3,3,4-hexafluorocyclobutane-1-carbonyl chloride
CID 162536529
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 2,2,4,4,6,6,8,8,9,9,10-undecafluoroadamantane-1,3,5,7-tetrol?
The IUPAC name of 2,2,4,4,6,6,8,8,9,9,10-undecafluoroadamantane-1,3,5,7-tetrol (CID 89354580) is 2,2,4,4,6,6,8,8,9,9,10-undecafluoroadamantane-1,3,5,7-tetrol.
What is the SMILES notation for 2,2,4,4,6,6,8,8,9,9,10-undecafluoroadamantane-1,3,5,7-tetrol?
The canonical SMILES for 2,2,4,4,6,6,8,8,9,9,10-undecafluoroadamantane-1,3,5,7-tetrol is OC12C(F)C3(O)C(F)(F)C(O)(C1(F)F)C(F)(F)C(O)(C2(F)F)C3(F)F.
What is the InChIKey of 2,2,4,4,6,6,8,8,9,9,10-undecafluoroadamantane-1,3,5,7-tetrol?
The InChIKey is JXNANFQOJRPBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F11O4/c11-1-2(22)6(12,13)4(24)8(16,17)3(1,23)9(18,19)5(25,7(2,14)15)10(4,20)21/h1,22-25H.
What are the key properties of 2,2,4,4,6,6,8,8,9,9,10-undecafluoroadamantane-1,3,5,7-tetrol?
2,2,4,4,6,6,8,8,9,9,10-undecafluoroadamantane-1,3,5,7-tetrol has a molecular weight of 398.12 g/mol, XLogP of 0.47, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8,9,9,10-undecafluoroadamantane-1,3,5,7-tetrol is sourced from PubChem (CID 89354580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).