2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-methylpentan-2-ol

C7H6F10O — CID 59331026

IUPAC2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-methylpentan-2-ol
SMILESCC(C(F)(F)F)C(F)(F)C(O)(C(F)F)C(F)(F)F
InChIInChI=1S/C7H6F10O/c1-2(6(12,13)14)5(10,11)4(18,3(8)9)7(15,16)17/h2-3,18H,1H3
InChIKeyXUJTWLNDDGRKNE-UHFFFAOYSA-N
MW296.10 g/mol
LogP3.38
Rot. Bonds3

About 2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-methylpentan-2-ol

2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-methylpentan-2-ol (PubChem CID 59331026) has the molecular formula C7H6F10O and a molecular weight of 296.10 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-methylpentan-2-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-methylpentan-2-ol
PubChem CID59331026
Molecular FormulaC7H6F10O
Molecular Weight296.10 g/mol
Exact Mass296.03
IUPAC Name2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-methylpentan-2-ol
SMILESCC(C(F)(F)F)C(F)(F)C(O)(C(F)F)C(F)(F)F
InChIInChI=1S/C7H6F10O/c1-2(6(12,13)14)5(10,11)4(18,3(8)9)7(15,16)17/h2-3,18H,1H3
InChIKeyXUJTWLNDDGRKNE-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.10
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-methylpentan-2-ol?
The IUPAC name of 2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-methylpentan-2-ol (CID 59331026) is 2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-methylpentan-2-ol.
What is the SMILES notation for 2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-methylpentan-2-ol?
The canonical SMILES for 2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-methylpentan-2-ol is CC(C(F)(F)F)C(F)(F)C(O)(C(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-methylpentan-2-ol?
The InChIKey is XUJTWLNDDGRKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F10O/c1-2(6(12,13)14)5(10,11)4(18,3(8)9)7(15,16)17/h2-3,18H,1H3.
What are the key properties of 2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-methylpentan-2-ol?
2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-methylpentan-2-ol has a molecular weight of 296.10 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-methylpentan-2-ol is sourced from PubChem (CID 59331026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).