2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butan-1-ol

C5H3F9O — CID 44717703

IUPAC2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butan-1-ol
SMILESOCC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F9O/c6-2(7,1-15)3(8,4(9,10)11)5(12,13)14/h15H,1H2
InChIKeyFJFBVHSVQZDLKQ-UHFFFAOYSA-N
MW250.06 g/mol
LogP2.45
Rot. Bonds2

About 2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butan-1-ol

2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butan-1-ol (PubChem CID 44717703) has the molecular formula C5H3F9O and a molecular weight of 250.06 g/mol. Its IUPAC name is 2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butan-1-ol.

Molecular Properties

Compound Name2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butan-1-ol
PubChem CID44717703
Molecular FormulaC5H3F9O
Molecular Weight250.06 g/mol
Exact Mass250.00
IUPAC Name2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butan-1-ol
SMILESOCC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F9O/c6-2(7,1-15)3(8,4(9,10)11)5(12,13)14/h15H,1H2
InChIKeyFJFBVHSVQZDLKQ-UHFFFAOYSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.06
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butan-1-ol?
The IUPAC name of 2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butan-1-ol (CID 44717703) is 2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butan-1-ol.
What is the SMILES notation for 2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butan-1-ol?
The canonical SMILES for 2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butan-1-ol is OCC(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butan-1-ol?
The InChIKey is FJFBVHSVQZDLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F9O/c6-2(7,1-15)3(8,4(9,10)11)5(12,13)14/h15H,1H2.
What are the key properties of 2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butan-1-ol?
2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butan-1-ol has a molecular weight of 250.06 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)butan-1-ol is sourced from PubChem (CID 44717703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).