1-fluoro-2-(fluoromethyl)-3-methylbutan-2-ol

C6H12F2O — CID 54499529

IUPAC1-fluoro-2-(fluoromethyl)-3-methylbutan-2-ol
SMILESCC(C)C(O)(CF)CF
InChIInChI=1S/C6H12F2O/c1-5(2)6(9,3-7)4-8/h5,9H,3-4H2,1-2H3
InChIKeyQCMLZHISZLFQAN-UHFFFAOYSA-N
MW138.16 g/mol
LogP1.31
Rot. Bonds3

About 1-fluoro-2-(fluoromethyl)-3-methylbutan-2-ol

1-fluoro-2-(fluoromethyl)-3-methylbutan-2-ol (PubChem CID 54499529) has the molecular formula C6H12F2O and a molecular weight of 138.16 g/mol. Its IUPAC name is 1-fluoro-2-(fluoromethyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-fluoro-2-(fluoromethyl)-3-methylbutan-2-ol
PubChem CID54499529
Molecular FormulaC6H12F2O
Molecular Weight138.16 g/mol
Exact Mass138.09
IUPAC Name1-fluoro-2-(fluoromethyl)-3-methylbutan-2-ol
SMILESCC(C)C(O)(CF)CF
InChIInChI=1S/C6H12F2O/c1-5(2)6(9,3-7)4-8/h5,9H,3-4H2,1-2H3
InChIKeyQCMLZHISZLFQAN-UHFFFAOYSA-N
XLogP1.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(fluoromethyl)-3-methylbutan-2-ol?
The IUPAC name of 1-fluoro-2-(fluoromethyl)-3-methylbutan-2-ol (CID 54499529) is 1-fluoro-2-(fluoromethyl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-fluoro-2-(fluoromethyl)-3-methylbutan-2-ol?
The canonical SMILES for 1-fluoro-2-(fluoromethyl)-3-methylbutan-2-ol is CC(C)C(O)(CF)CF.
What is the InChIKey of 1-fluoro-2-(fluoromethyl)-3-methylbutan-2-ol?
The InChIKey is QCMLZHISZLFQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O/c1-5(2)6(9,3-7)4-8/h5,9H,3-4H2,1-2H3.
What are the key properties of 1-fluoro-2-(fluoromethyl)-3-methylbutan-2-ol?
1-fluoro-2-(fluoromethyl)-3-methylbutan-2-ol has a molecular weight of 138.16 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(fluoromethyl)-3-methylbutan-2-ol is sourced from PubChem (CID 54499529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).