4-(difluoromethyl)-3-ethyl-4,5,5,5-tetrafluoro-2,3-dimethylpentan-2-ol

C10H16F6O — CID 88557611

IUPAC4-(difluoromethyl)-3-ethyl-4,5,5,5-tetrafluoro-2,3-dimethylpentan-2-ol
SMILESCCC(C)(C(C)(C)O)C(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O/c1-5-8(4,7(2,3)17)9(13,6(11)12)10(14,15)16/h6,17H,5H2,1-4H3
InChIKeyIXFBKCSHEBOCNA-UHFFFAOYSA-N
MW266.23 g/mol
LogP3.71
Rot. Bonds4

About 4-(difluoromethyl)-3-ethyl-4,5,5,5-tetrafluoro-2,3-dimethylpentan-2-ol

4-(difluoromethyl)-3-ethyl-4,5,5,5-tetrafluoro-2,3-dimethylpentan-2-ol (PubChem CID 88557611) has the molecular formula C10H16F6O and a molecular weight of 266.23 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-ethyl-4,5,5,5-tetrafluoro-2,3-dimethylpentan-2-ol.

Molecular Properties

Compound Name4-(difluoromethyl)-3-ethyl-4,5,5,5-tetrafluoro-2,3-dimethylpentan-2-ol
PubChem CID88557611
Molecular FormulaC10H16F6O
Molecular Weight266.23 g/mol
Exact Mass266.11
IUPAC Name4-(difluoromethyl)-3-ethyl-4,5,5,5-tetrafluoro-2,3-dimethylpentan-2-ol
SMILESCCC(C)(C(C)(C)O)C(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O/c1-5-8(4,7(2,3)17)9(13,6(11)12)10(14,15)16/h6,17H,5H2,1-4H3
InChIKeyIXFBKCSHEBOCNA-UHFFFAOYSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-ethyl-4,5,5,5-tetrafluoro-2,3-dimethylpentan-2-ol?
The IUPAC name of 4-(difluoromethyl)-3-ethyl-4,5,5,5-tetrafluoro-2,3-dimethylpentan-2-ol (CID 88557611) is 4-(difluoromethyl)-3-ethyl-4,5,5,5-tetrafluoro-2,3-dimethylpentan-2-ol.
What is the SMILES notation for 4-(difluoromethyl)-3-ethyl-4,5,5,5-tetrafluoro-2,3-dimethylpentan-2-ol?
The canonical SMILES for 4-(difluoromethyl)-3-ethyl-4,5,5,5-tetrafluoro-2,3-dimethylpentan-2-ol is CCC(C)(C(C)(C)O)C(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-3-ethyl-4,5,5,5-tetrafluoro-2,3-dimethylpentan-2-ol?
The InChIKey is IXFBKCSHEBOCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6O/c1-5-8(4,7(2,3)17)9(13,6(11)12)10(14,15)16/h6,17H,5H2,1-4H3.
What are the key properties of 4-(difluoromethyl)-3-ethyl-4,5,5,5-tetrafluoro-2,3-dimethylpentan-2-ol?
4-(difluoromethyl)-3-ethyl-4,5,5,5-tetrafluoro-2,3-dimethylpentan-2-ol has a molecular weight of 266.23 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-ethyl-4,5,5,5-tetrafluoro-2,3-dimethylpentan-2-ol is sourced from PubChem (CID 88557611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).