3-fluoro-2-methylpentan-2-ol

C6H13FO — CID 22000515

IUPAC3-fluoro-2-methylpentan-2-ol
SMILESCCC(F)C(C)(C)O
InChIInChI=1S/C6H13FO/c1-4-5(7)6(2,3)8/h5,8H,4H2,1-3H3
InChIKeyFHKUEBFUICVIIB-UHFFFAOYSA-N
MW120.17 g/mol
LogP1.51
Rot. Bonds2

About 3-fluoro-2-methylpentan-2-ol

3-fluoro-2-methylpentan-2-ol (PubChem CID 22000515) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is 3-fluoro-2-methylpentan-2-ol.

Molecular Properties

Compound Name3-fluoro-2-methylpentan-2-ol
PubChem CID22000515
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name3-fluoro-2-methylpentan-2-ol
SMILESCCC(F)C(C)(C)O
InChIInChI=1S/C6H13FO/c1-4-5(7)6(2,3)8/h5,8H,4H2,1-3H3
InChIKeyFHKUEBFUICVIIB-UHFFFAOYSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylpentan-2-ol?
The IUPAC name of 3-fluoro-2-methylpentan-2-ol (CID 22000515) is 3-fluoro-2-methylpentan-2-ol.
What is the SMILES notation for 3-fluoro-2-methylpentan-2-ol?
The canonical SMILES for 3-fluoro-2-methylpentan-2-ol is CCC(F)C(C)(C)O.
What is the InChIKey of 3-fluoro-2-methylpentan-2-ol?
The InChIKey is FHKUEBFUICVIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-4-5(7)6(2,3)8/h5,8H,4H2,1-3H3.
What are the key properties of 3-fluoro-2-methylpentan-2-ol?
3-fluoro-2-methylpentan-2-ol has a molecular weight of 120.17 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methylpentan-2-ol is sourced from PubChem (CID 22000515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).