1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)adamantan-2-ol

C11HF17O — CID 87306618

IUPAC1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)adamantan-2-ol
SMILESOC1(C(F)(F)F)C2(F)C(F)(F)C3(F)C(F)(F)C(F)(C2(F)F)C(F)(F)C1(F)C3(F)F
InChIInChI=1S/C11HF17O/c12-1-5(29,11(26,27)28)2(13)8(20,21)3(14,6(1,16)17)10(24,25)4(15,7(1,18)19)9(2,22)23/h29H
InChIKeyFZDOKOOSTKCYDW-UHFFFAOYSA-N
MW472.09 g/mol
LogP4.33
Rot. Bonds

About 1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)adamantan-2-ol

1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)adamantan-2-ol (PubChem CID 87306618) has the molecular formula C11HF17O and a molecular weight of 472.09 g/mol. Its IUPAC name is 1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)adamantan-2-ol.

Molecular Properties

Compound Name1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)adamantan-2-ol
PubChem CID87306618
Molecular FormulaC11HF17O
Molecular Weight472.09 g/mol
Exact Mass471.98
IUPAC Name1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)adamantan-2-ol
SMILESOC1(C(F)(F)F)C2(F)C(F)(F)C3(F)C(F)(F)C(F)(C2(F)F)C(F)(F)C1(F)C3(F)F
InChIInChI=1S/C11HF17O/c12-1-5(29,11(26,27)28)2(13)8(20,21)3(14,6(1,16)17)10(24,25)4(15,7(1,18)19)9(2,22)23/h29H
InChIKeyFZDOKOOSTKCYDW-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.09
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)adamantan-2-ol?
The IUPAC name of 1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)adamantan-2-ol (CID 87306618) is 1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)adamantan-2-ol.
What is the SMILES notation for 1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)adamantan-2-ol?
The canonical SMILES for 1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)adamantan-2-ol is OC1(C(F)(F)F)C2(F)C(F)(F)C3(F)C(F)(F)C(F)(C2(F)F)C(F)(F)C1(F)C3(F)F.
What is the InChIKey of 1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)adamantan-2-ol?
The InChIKey is FZDOKOOSTKCYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11HF17O/c12-1-5(29,11(26,27)28)2(13)8(20,21)3(14,6(1,16)17)10(24,25)4(15,7(1,18)19)9(2,22)23/h29H.
What are the key properties of 1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)adamantan-2-ol?
1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)adamantan-2-ol has a molecular weight of 472.09 g/mol, XLogP of 4.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)adamantan-2-ol is sourced from PubChem (CID 87306618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).