tert-butyl acetate;1,1,1,3,3,3-hexafluoropropan-2-ol

C9H14F6O3 — CID 157252983

IUPACtert-butyl acetate;1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC(=O)OC(C)(C)C.OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H12O2.C3H2F6O/c1-5(7)8-6(2,3)4;4-2(5,6)1(10)3(7,8)9/h1-4H3;1,10H
InChIKeyAWOAKJHKIPQMAZ-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.82
Rot. Bonds

About tert-butyl acetate;1,1,1,3,3,3-hexafluoropropan-2-ol

tert-butyl acetate;1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 157252983) has the molecular formula C9H14F6O3 and a molecular weight of 284.20 g/mol. Its IUPAC name is tert-butyl acetate;1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Nametert-butyl acetate;1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID157252983
Molecular FormulaC9H14F6O3
Molecular Weight284.20 g/mol
Exact Mass284.08
IUPAC Nametert-butyl acetate;1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC(=O)OC(C)(C)C.OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H12O2.C3H2F6O/c1-5(7)8-6(2,3)4;4-2(5,6)1(10)3(7,8)9/h1-4H3;1,10H
InChIKeyAWOAKJHKIPQMAZ-UHFFFAOYSA-N
XLogP2.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl acetate;cyclopropanamine
CID 174763638
CID 87138094
CID 87138094
CID 87608976
CID 87608976
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Frequently Asked Questions

What is the IUPAC name of tert-butyl acetate;1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of tert-butyl acetate;1,1,1,3,3,3-hexafluoropropan-2-ol (CID 157252983) is tert-butyl acetate;1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for tert-butyl acetate;1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for tert-butyl acetate;1,1,1,3,3,3-hexafluoropropan-2-ol is CC(=O)OC(C)(C)C.OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of tert-butyl acetate;1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is AWOAKJHKIPQMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C3H2F6O/c1-5(7)8-6(2,3)4;4-2(5,6)1(10)3(7,8)9/h1-4H3;1,10H.
What are the key properties of tert-butyl acetate;1,1,1,3,3,3-hexafluoropropan-2-ol?
tert-butyl acetate;1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 284.20 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl acetate;1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 157252983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).