3-fluoro-3-methylbutan-1-ol

C5H11FO — CID 59708471

IUPAC3-fluoro-3-methylbutan-1-ol
SMILESCC(C)(F)CCO
InChIInChI=1S/C5H11FO/c1-5(2,6)3-4-7/h7H,3-4H2,1-2H3
InChIKeyNKLHCCFXZGKXFE-UHFFFAOYSA-N
MW106.14 g/mol
LogP1.12
Rot. Bonds2

About 3-fluoro-3-methylbutan-1-ol

3-fluoro-3-methylbutan-1-ol (PubChem CID 59708471) has the molecular formula C5H11FO and a molecular weight of 106.14 g/mol. Its IUPAC name is 3-fluoro-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-fluoro-3-methylbutan-1-ol
PubChem CID59708471
Molecular FormulaC5H11FO
Molecular Weight106.14 g/mol
Exact Mass106.08
IUPAC Name3-fluoro-3-methylbutan-1-ol
SMILESCC(C)(F)CCO
InChIInChI=1S/C5H11FO/c1-5(2,6)3-4-7/h7H,3-4H2,1-2H3
InChIKeyNKLHCCFXZGKXFE-UHFFFAOYSA-N
XLogP1.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.14
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methylbutan-1-ol?
The IUPAC name of 3-fluoro-3-methylbutan-1-ol (CID 59708471) is 3-fluoro-3-methylbutan-1-ol.
What is the SMILES notation for 3-fluoro-3-methylbutan-1-ol?
The canonical SMILES for 3-fluoro-3-methylbutan-1-ol is CC(C)(F)CCO.
What is the InChIKey of 3-fluoro-3-methylbutan-1-ol?
The InChIKey is NKLHCCFXZGKXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO/c1-5(2,6)3-4-7/h7H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-3-methylbutan-1-ol?
3-fluoro-3-methylbutan-1-ol has a molecular weight of 106.14 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methylbutan-1-ol is sourced from PubChem (CID 59708471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).