(3R)-2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexan-1-ol

C9H3F17O — CID 98046573

IUPAC(3R)-2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexan-1-ol
SMILESOCC(F)(F)[C@@](F)(C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H3F17O/c10-2(11,1-27)4(12,9(24,25)26)5(13,14)3(6(15,16)17,7(18,19)20)8(21,22)23/h27H,1H2/t4-/m0/s1
InChIKeyOZJOKWZATUYTID-BYPYZUCNSA-N
MW450.09 g/mol
LogP5.19
Rot. Bonds4

About (3R)-2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexan-1-ol

(3R)-2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexan-1-ol (PubChem CID 98046573) has the molecular formula C9H3F17O and a molecular weight of 450.09 g/mol. Its IUPAC name is (3R)-2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexan-1-ol.

Molecular Properties

Compound Name(3R)-2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexan-1-ol
PubChem CID98046573
Molecular FormulaC9H3F17O
Molecular Weight450.09 g/mol
Exact Mass449.99
IUPAC Name(3R)-2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexan-1-ol
SMILESOCC(F)(F)[C@@](F)(C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H3F17O/c10-2(11,1-27)4(12,9(24,25)26)5(13,14)3(6(15,16)17,7(18,19)20)8(21,22)23/h27H,1H2/t4-/m0/s1
InChIKeyOZJOKWZATUYTID-BYPYZUCNSA-N
XLogP5.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.09
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3R)-2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexan-1-ol with MolForge

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Related Compounds

3,3,4,4,5,6,6,6-Octafluoro-5-(trifluoromethyl)hexan-1-ol
CID 2776218
1-Hexanol, 2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)-
CID 2776397
5,5,6,6,7,7,7-Heptafluoro-4,4-bis(trifluoromethyl)heptan-1-ol
CID 13637735
5,5-Bis(trifluoromethyl)-6,6,6-trifluoro-hexan-1-ol
CID 2769649
4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hexan-1-ol
CID 2775052
2,2,3,4,4,5,6,6,6-Nonafluoro-3-(trifluoromethyl)hexan-1-ol
CID 11381976
5,6,6,6-Tetrafluoro-3,5-bis(trifluoromethyl)hexan-1-ol
CID 57709936
2-Ethyl-3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol
CID 59672067
2,2,3,3,4,4,5,6,6,6-Decafluoro-5-(trifluoromethyl)hexan-1-ol
CID 86042297
4,4,5,5,6,6,6-Heptafluoro-3,3-bis(trifluoromethyl)hexan-1-ol
CID 86179549
2-Ethyl-3,3-difluoro-2-(trifluoromethyl)pentan-1-ol
CID 87318533
(3S)-5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexan-1-ol
CID 89380858

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexan-1-ol?
The IUPAC name of (3R)-2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexan-1-ol (CID 98046573) is (3R)-2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexan-1-ol.
What is the SMILES notation for (3R)-2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexan-1-ol?
The canonical SMILES for (3R)-2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexan-1-ol is OCC(F)(F)[C@@](F)(C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (3R)-2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexan-1-ol?
The InChIKey is OZJOKWZATUYTID-BYPYZUCNSA-N. The full InChI is InChI=1S/C9H3F17O/c10-2(11,1-27)4(12,9(24,25)26)5(13,14)3(6(15,16)17,7(18,19)20)8(21,22)23/h27H,1H2/t4-/m0/s1.
What are the key properties of (3R)-2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexan-1-ol?
(3R)-2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexan-1-ol has a molecular weight of 450.09 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexan-1-ol is sourced from PubChem (CID 98046573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).