(2R)-1-fluoro-2,3,3-trimethylbutan-2-ol

C7H15FO — CID 171604149

IUPAC(2R)-1-fluoro-2,3,3-trimethylbutan-2-ol
SMILESCC(C)(C)[C@@](C)(O)CF
InChIInChI=1S/C7H15FO/c1-6(2,3)7(4,9)5-8/h9H,5H2,1-4H3/t7-/m0/s1
InChIKeyBNTXHGVNTZECEE-ZETCQYMHSA-N
MW134.19 g/mol
LogP1.75
Rot. Bonds1

About (2R)-1-fluoro-2,3,3-trimethylbutan-2-ol

(2R)-1-fluoro-2,3,3-trimethylbutan-2-ol (PubChem CID 171604149) has the molecular formula C7H15FO and a molecular weight of 134.19 g/mol. Its IUPAC name is (2R)-1-fluoro-2,3,3-trimethylbutan-2-ol.

Molecular Properties

Compound Name(2R)-1-fluoro-2,3,3-trimethylbutan-2-ol
PubChem CID171604149
Molecular FormulaC7H15FO
Molecular Weight134.19 g/mol
Exact Mass134.11
IUPAC Name(2R)-1-fluoro-2,3,3-trimethylbutan-2-ol
SMILESCC(C)(C)[C@@](C)(O)CF
InChIInChI=1S/C7H15FO/c1-6(2,3)7(4,9)5-8/h9H,5H2,1-4H3/t7-/m0/s1
InChIKeyBNTXHGVNTZECEE-ZETCQYMHSA-N
XLogP1.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 (2R)-1-fluoro-2,3,3-trimethylbutan-2-ol?
The IUPAC name of (2R)-1-fluoro-2,3,3-trimethylbutan-2-ol (CID 171604149) is (2R)-1-fluoro-2,3,3-trimethylbutan-2-ol.
What is the SMILES notation for (2R)-1-fluoro-2,3,3-trimethylbutan-2-ol?
The canonical SMILES for (2R)-1-fluoro-2,3,3-trimethylbutan-2-ol is CC(C)(C)[C@@](C)(O)CF.
What is the InChIKey of (2R)-1-fluoro-2,3,3-trimethylbutan-2-ol?
The InChIKey is BNTXHGVNTZECEE-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15FO/c1-6(2,3)7(4,9)5-8/h9H,5H2,1-4H3/t7-/m0/s1.
What are the key properties of (2R)-1-fluoro-2,3,3-trimethylbutan-2-ol?
(2R)-1-fluoro-2,3,3-trimethylbutan-2-ol has a molecular weight of 134.19 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-fluoro-2,3,3-trimethylbutan-2-ol is sourced from PubChem (CID 171604149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).