4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol

C9H14F6O — CID 89360060

IUPAC4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol
SMILESCCC(CC)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6O/c1-3-6(4-2)5-7(16,8(10,11)12)9(13,14)15/h6,16H,3-5H2,1-2H3
InChIKeyQCCMBOFFERLUDY-UHFFFAOYSA-N
MW252.20 g/mol
LogP3.67
Rot. Bonds4

About 4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol

4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol (PubChem CID 89360060) has the molecular formula C9H14F6O and a molecular weight of 252.20 g/mol. Its IUPAC name is 4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol.

Molecular Properties

Compound Name4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol
PubChem CID89360060
Molecular FormulaC9H14F6O
Molecular Weight252.20 g/mol
Exact Mass252.09
IUPAC Name4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol
SMILESCCC(CC)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6O/c1-3-6(4-2)5-7(16,8(10,11)12)9(13,14)15/h6,16H,3-5H2,1-2H3
InChIKeyQCCMBOFFERLUDY-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol?
The IUPAC name of 4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol (CID 89360060) is 4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol.
What is the SMILES notation for 4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol?
The canonical SMILES for 4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol is CCC(CC)CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol?
The InChIKey is QCCMBOFFERLUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6O/c1-3-6(4-2)5-7(16,8(10,11)12)9(13,14)15/h6,16H,3-5H2,1-2H3.
What are the key properties of 4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol?
4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol has a molecular weight of 252.20 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol is sourced from PubChem (CID 89360060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).