4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butan-1-ol

C6H8F6O — CID 86001839

IUPAC4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butan-1-ol
SMILESOCC(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C6H8F6O/c7-5(8,9)1-4(3-13)2-6(10,11)12/h4,13H,1-3H2
InChIKeyAHGLEYAJYLEUHN-UHFFFAOYSA-N
MW210.12 g/mol
LogP2.50
Rot. Bonds3

About 4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butan-1-ol

4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butan-1-ol (PubChem CID 86001839) has the molecular formula C6H8F6O and a molecular weight of 210.12 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butan-1-ol
PubChem CID86001839
Molecular FormulaC6H8F6O
Molecular Weight210.12 g/mol
Exact Mass210.05
IUPAC Name4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butan-1-ol
SMILESOCC(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C6H8F6O/c7-5(8,9)1-4(3-13)2-6(10,11)12/h4,13H,1-3H2
InChIKeyAHGLEYAJYLEUHN-UHFFFAOYSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2(Perfluoro-2-propyl)ethanol
CID 2782615
4,4,4-Trifluoro-3-methylbutan-1-ol
CID 274355
4,4,4-Trifluoro-2-methylbutan-1-ol
CID 2775532
3,3,4,5,5,5-Hexafluoro-2-methylpentan-1-ol
CID 115661
2,2-Difluoro-3-methylbutan-1-ol
CID 57675516
4,4-Difluoro-2-methylbutan-1-ol
CID 121553246
4,4-Difluoro-3-methylbutan-1-ol
CID 129270061
(2R)-4,4,4-trifluoro-2-methylbutan-1-ol
CID 10351792
2-Ethyl-4,4,4-trifluorobutan-1-ol
CID 86001735
5,5,5-Trifluoro-3-methyl-1-pentanol
CID 23273440
4,4,4-Trifluoro-2-(trifluoromethyl)butan-1-ol
CID 14248121
2-Ethyl-3,3-difluorobutan-1-ol
CID 139023981

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butan-1-ol (CID 86001839) is 4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butan-1-ol is OCC(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butan-1-ol?
The InChIKey is AHGLEYAJYLEUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O/c7-5(8,9)1-4(3-13)2-6(10,11)12/h4,13H,1-3H2.
What are the key properties of 4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butan-1-ol?
4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butan-1-ol has a molecular weight of 210.12 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butan-1-ol is sourced from PubChem (CID 86001839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).