2-[4-(1,1,1,4,4,4-hexafluorobutan-2-yl)phenyl]ethanol

C12H12F6O — CID 134966965

IUPAC2-[4-(1,1,1,4,4,4-hexafluorobutan-2-yl)phenyl]ethanol
SMILESOCCc1ccc(C(CC(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C12H12F6O/c13-11(14,15)7-10(12(16,17)18)9-3-1-8(2-4-9)5-6-19/h1-4,10,19H,5-7H2
InChIKeyBWQZUBBKUWGZCR-UHFFFAOYSA-N
MW286.22 g/mol
LogP3.82
Rot. Bonds4

About 2-[4-(1,1,1,4,4,4-hexafluorobutan-2-yl)phenyl]ethanol

2-[4-(1,1,1,4,4,4-hexafluorobutan-2-yl)phenyl]ethanol (PubChem CID 134966965) has the molecular formula C12H12F6O and a molecular weight of 286.22 g/mol. Its IUPAC name is 2-[4-(1,1,1,4,4,4-hexafluorobutan-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(1,1,1,4,4,4-hexafluorobutan-2-yl)phenyl]ethanol
PubChem CID134966965
Molecular FormulaC12H12F6O
Molecular Weight286.22 g/mol
Exact Mass286.08
IUPAC Name2-[4-(1,1,1,4,4,4-hexafluorobutan-2-yl)phenyl]ethanol
SMILESOCCc1ccc(C(CC(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C12H12F6O/c13-11(14,15)7-10(12(16,17)18)9-3-1-8(2-4-9)5-6-19/h1-4,10,19H,5-7H2
InChIKeyBWQZUBBKUWGZCR-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1,1,4,4,4-hexafluorobutan-2-yl)phenyl]ethanol?
The IUPAC name of 2-[4-(1,1,1,4,4,4-hexafluorobutan-2-yl)phenyl]ethanol (CID 134966965) is 2-[4-(1,1,1,4,4,4-hexafluorobutan-2-yl)phenyl]ethanol.
What is the SMILES notation for 2-[4-(1,1,1,4,4,4-hexafluorobutan-2-yl)phenyl]ethanol?
The canonical SMILES for 2-[4-(1,1,1,4,4,4-hexafluorobutan-2-yl)phenyl]ethanol is OCCc1ccc(C(CC(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(1,1,1,4,4,4-hexafluorobutan-2-yl)phenyl]ethanol?
The InChIKey is BWQZUBBKUWGZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6O/c13-11(14,15)7-10(12(16,17)18)9-3-1-8(2-4-9)5-6-19/h1-4,10,19H,5-7H2.
What are the key properties of 2-[4-(1,1,1,4,4,4-hexafluorobutan-2-yl)phenyl]ethanol?
2-[4-(1,1,1,4,4,4-hexafluorobutan-2-yl)phenyl]ethanol has a molecular weight of 286.22 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1,1,4,4,4-hexafluorobutan-2-yl)phenyl]ethanol is sourced from PubChem (CID 134966965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).