(1,2,2,3,3,4-hexafluorocyclobutyl)methanol

C5H4F6O — CID 130122077

IUPAC(1,2,2,3,3,4-hexafluorocyclobutyl)methanol
SMILESOCC1(F)C(F)C(F)(F)C1(F)F
InChIInChI=1S/C5H4F6O/c6-2-3(7,1-12)5(10,11)4(2,8)9/h2,12H,1H2
InChIKeyJAMGCEVEGZWIOB-UHFFFAOYSA-N
MW194.07 g/mol
LogP1.31
Rot. Bonds1

About (1,2,2,3,3,4-hexafluorocyclobutyl)methanol

(1,2,2,3,3,4-hexafluorocyclobutyl)methanol (PubChem CID 130122077) has the molecular formula C5H4F6O and a molecular weight of 194.07 g/mol. Its IUPAC name is (1,2,2,3,3,4-hexafluorocyclobutyl)methanol.

Molecular Properties

Compound Name(1,2,2,3,3,4-hexafluorocyclobutyl)methanol
PubChem CID130122077
Molecular FormulaC5H4F6O
Molecular Weight194.07 g/mol
Exact Mass194.02
IUPAC Name(1,2,2,3,3,4-hexafluorocyclobutyl)methanol
SMILESOCC1(F)C(F)C(F)(F)C1(F)F
InChIInChI=1S/C5H4F6O/c6-2-3(7,1-12)5(10,11)4(2,8)9/h2,12H,1H2
InChIKeyJAMGCEVEGZWIOB-UHFFFAOYSA-N
XLogP1.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,2,2,3,3,4-hexafluorocyclobutyl)methanol?
The IUPAC name of (1,2,2,3,3,4-hexafluorocyclobutyl)methanol (CID 130122077) is (1,2,2,3,3,4-hexafluorocyclobutyl)methanol.
What is the SMILES notation for (1,2,2,3,3,4-hexafluorocyclobutyl)methanol?
The canonical SMILES for (1,2,2,3,3,4-hexafluorocyclobutyl)methanol is OCC1(F)C(F)C(F)(F)C1(F)F.
What is the InChIKey of (1,2,2,3,3,4-hexafluorocyclobutyl)methanol?
The InChIKey is JAMGCEVEGZWIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O/c6-2-3(7,1-12)5(10,11)4(2,8)9/h2,12H,1H2.
What are the key properties of (1,2,2,3,3,4-hexafluorocyclobutyl)methanol?
(1,2,2,3,3,4-hexafluorocyclobutyl)methanol has a molecular weight of 194.07 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,3,3,4-hexafluorocyclobutyl)methanol is sourced from PubChem (CID 130122077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).