2-ethyl-3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol

C8H10F8O — CID 59672067

IUPAC2-ethyl-3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol
SMILESCCC(CO)(C(F)(F)F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C8H10F8O/c1-2-5(4-17,8(14,15)16)6(9,10)3-7(11,12)13/h17H,2-4H2,1H3
InChIKeyYGWANAJBENFTQC-UHFFFAOYSA-N
MW274.15 g/mol
LogP3.53
Rot. Bonds4

About 2-ethyl-3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol

2-ethyl-3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol (PubChem CID 59672067) has the molecular formula C8H10F8O and a molecular weight of 274.15 g/mol. Its IUPAC name is 2-ethyl-3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol
PubChem CID59672067
Molecular FormulaC8H10F8O
Molecular Weight274.15 g/mol
Exact Mass274.06
IUPAC Name2-ethyl-3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol
SMILESCCC(CO)(C(F)(F)F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C8H10F8O/c1-2-5(4-17,8(14,15)16)6(9,10)3-7(11,12)13/h17H,2-4H2,1H3
InChIKeyYGWANAJBENFTQC-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol?
The IUPAC name of 2-ethyl-3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol (CID 59672067) is 2-ethyl-3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol.
What is the SMILES notation for 2-ethyl-3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol?
The canonical SMILES for 2-ethyl-3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol is CCC(CO)(C(F)(F)F)C(F)(F)CC(F)(F)F.
What is the InChIKey of 2-ethyl-3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol?
The InChIKey is YGWANAJBENFTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F8O/c1-2-5(4-17,8(14,15)16)6(9,10)3-7(11,12)13/h17H,2-4H2,1H3.
What are the key properties of 2-ethyl-3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol?
2-ethyl-3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol has a molecular weight of 274.15 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pentan-1-ol is sourced from PubChem (CID 59672067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).