4,4,4-trifluoro-2,3,3-trimethylbutan-2-ol

C7H13F3O — CID 154517395

IUPAC4,4,4-trifluoro-2,3,3-trimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)C(F)(F)F
InChIInChI=1S/C7H13F3O/c1-5(2,6(3,4)11)7(8,9)10/h11H,1-4H3
InChIKeyNPTUUKHBDQPLML-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.35
Rot. Bonds1

About 4,4,4-trifluoro-2,3,3-trimethylbutan-2-ol

4,4,4-trifluoro-2,3,3-trimethylbutan-2-ol (PubChem CID 154517395) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is 4,4,4-trifluoro-2,3,3-trimethylbutan-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-2,3,3-trimethylbutan-2-ol
PubChem CID154517395
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Name4,4,4-trifluoro-2,3,3-trimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)C(F)(F)F
InChIInChI=1S/C7H13F3O/c1-5(2,6(3,4)11)7(8,9)10/h11H,1-4H3
InChIKeyNPTUUKHBDQPLML-UHFFFAOYSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2,3,3-trimethylbutan-2-ol?
The IUPAC name of 4,4,4-trifluoro-2,3,3-trimethylbutan-2-ol (CID 154517395) is 4,4,4-trifluoro-2,3,3-trimethylbutan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-2,3,3-trimethylbutan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-2,3,3-trimethylbutan-2-ol is CC(C)(O)C(C)(C)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2,3,3-trimethylbutan-2-ol?
The InChIKey is NPTUUKHBDQPLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O/c1-5(2,6(3,4)11)7(8,9)10/h11H,1-4H3.
What are the key properties of 4,4,4-trifluoro-2,3,3-trimethylbutan-2-ol?
4,4,4-trifluoro-2,3,3-trimethylbutan-2-ol has a molecular weight of 170.17 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2,3,3-trimethylbutan-2-ol is sourced from PubChem (CID 154517395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).