3-fluoro-2,4-dimethylpentan-2-ol

C7H15FO — CID 84648220

IUPAC3-fluoro-2,4-dimethylpentan-2-ol
SMILESCC(C)C(F)C(C)(C)O
InChIInChI=1S/C7H15FO/c1-5(2)6(8)7(3,4)9/h5-6,9H,1-4H3
InChIKeyGYMHBRRCBCWYKT-UHFFFAOYSA-N
MW134.19 g/mol
LogP1.75
Rot. Bonds2

About 3-fluoro-2,4-dimethylpentan-2-ol

3-fluoro-2,4-dimethylpentan-2-ol (PubChem CID 84648220) has the molecular formula C7H15FO and a molecular weight of 134.19 g/mol. Its IUPAC name is 3-fluoro-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name3-fluoro-2,4-dimethylpentan-2-ol
PubChem CID84648220
Molecular FormulaC7H15FO
Molecular Weight134.19 g/mol
Exact Mass134.11
IUPAC Name3-fluoro-2,4-dimethylpentan-2-ol
SMILESCC(C)C(F)C(C)(C)O
InChIInChI=1S/C7H15FO/c1-5(2)6(8)7(3,4)9/h5-6,9H,1-4H3
InChIKeyGYMHBRRCBCWYKT-UHFFFAOYSA-N
XLogP1.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,4-dimethylpentan-2-ol?
The IUPAC name of 3-fluoro-2,4-dimethylpentan-2-ol (CID 84648220) is 3-fluoro-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 3-fluoro-2,4-dimethylpentan-2-ol?
The canonical SMILES for 3-fluoro-2,4-dimethylpentan-2-ol is CC(C)C(F)C(C)(C)O.
What is the InChIKey of 3-fluoro-2,4-dimethylpentan-2-ol?
The InChIKey is GYMHBRRCBCWYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO/c1-5(2)6(8)7(3,4)9/h5-6,9H,1-4H3.
What are the key properties of 3-fluoro-2,4-dimethylpentan-2-ol?
3-fluoro-2,4-dimethylpentan-2-ol has a molecular weight of 134.19 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 84648220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).