4,5,5,5-tetrafluoro-2,4-dimethylpentan-1-ol

C7H12F4O — CID 58918796

IUPAC4,5,5,5-tetrafluoro-2,4-dimethylpentan-1-ol
SMILESCC(CO)CC(C)(F)C(F)(F)F
InChIInChI=1S/C7H12F4O/c1-5(4-12)3-6(2,8)7(9,10)11/h5,12H,3-4H2,1-2H3
InChIKeyRTRMNJIZXOAJME-UHFFFAOYSA-N
MW188.16 g/mol
LogP2.30
Rot. Bonds3

About 4,5,5,5-tetrafluoro-2,4-dimethylpentan-1-ol

4,5,5,5-tetrafluoro-2,4-dimethylpentan-1-ol (PubChem CID 58918796) has the molecular formula C7H12F4O and a molecular weight of 188.16 g/mol. Its IUPAC name is 4,5,5,5-tetrafluoro-2,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name4,5,5,5-tetrafluoro-2,4-dimethylpentan-1-ol
PubChem CID58918796
Molecular FormulaC7H12F4O
Molecular Weight188.16 g/mol
Exact Mass188.08
IUPAC Name4,5,5,5-tetrafluoro-2,4-dimethylpentan-1-ol
SMILESCC(CO)CC(C)(F)C(F)(F)F
InChIInChI=1S/C7H12F4O/c1-5(4-12)3-6(2,8)7(9,10)11/h5,12H,3-4H2,1-2H3
InChIKeyRTRMNJIZXOAJME-UHFFFAOYSA-N
XLogP2.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,5,5-tetrafluoro-2,4-dimethylpentan-1-ol?
The IUPAC name of 4,5,5,5-tetrafluoro-2,4-dimethylpentan-1-ol (CID 58918796) is 4,5,5,5-tetrafluoro-2,4-dimethylpentan-1-ol.
What is the SMILES notation for 4,5,5,5-tetrafluoro-2,4-dimethylpentan-1-ol?
The canonical SMILES for 4,5,5,5-tetrafluoro-2,4-dimethylpentan-1-ol is CC(CO)CC(C)(F)C(F)(F)F.
What is the InChIKey of 4,5,5,5-tetrafluoro-2,4-dimethylpentan-1-ol?
The InChIKey is RTRMNJIZXOAJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4O/c1-5(4-12)3-6(2,8)7(9,10)11/h5,12H,3-4H2,1-2H3.
What are the key properties of 4,5,5,5-tetrafluoro-2,4-dimethylpentan-1-ol?
4,5,5,5-tetrafluoro-2,4-dimethylpentan-1-ol has a molecular weight of 188.16 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,5-tetrafluoro-2,4-dimethylpentan-1-ol is sourced from PubChem (CID 58918796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).