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

C7H15FO — CID 171604133

IUPAC(2S)-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-/m1/s1
InChIKeyBNTXHGVNTZECEE-SSDOTTSWSA-N
MW134.19 g/mol
LogP1.75
Rot. Bonds1

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

(2S)-1-fluoro-2,3,3-trimethylbutan-2-ol (PubChem CID 171604133) has the molecular formula C7H15FO and a molecular weight of 134.19 g/mol. Its IUPAC name is (2S)-1-fluoro-2,3,3-trimethylbutan-2-ol.

Molecular Properties

Compound Name(2S)-1-fluoro-2,3,3-trimethylbutan-2-ol
PubChem CID171604133
Molecular FormulaC7H15FO
Molecular Weight134.19 g/mol
Exact Mass134.11
IUPAC Name(2S)-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-/m1/s1
InChIKeyBNTXHGVNTZECEE-SSDOTTSWSA-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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Related Compounds

2,3,3-Trimethyl-2-butanol
CID 11676
4-Fluoro-2-methylbutan-2-ol
CID 84647630
4,4,4-Trifluoro-2,3,3-trimethylbutan-2-ol
CID 154517395
4,4,4-Trifluoro-2-methyl-3,3-bis(trifluoromethyl)butan-2-ol
CID 15630255
3-Fluoro-2,3-dimethylbutan-2-ol
CID 22000462
3-Fluoro-2-methylbutan-2-ol
CID 22000493
1-Fluoro-2,3-dimethylbutan-2-ol
CID 22000528
(2R)-1,1,1-trifluoro-2,3,3-trimethylbutan-2-ol
CID 57979761
4-Fluoro-2,3-dimethylbutan-2-ol
CID 58413267
2-Fluoro-3,3-dimethylbutan-2-ol
CID 58623373
1,1,1-Trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-ol
CID 58715883
4,4,4-Trifluoro-2,3-dimethyl-3-(trifluoromethyl)butan-2-ol
CID 58939313

Frequently Asked Questions

What is the IUPAC name of (2S)-1-fluoro-2,3,3-trimethylbutan-2-ol?
The IUPAC name of (2S)-1-fluoro-2,3,3-trimethylbutan-2-ol (CID 171604133) is (2S)-1-fluoro-2,3,3-trimethylbutan-2-ol.
What is the SMILES notation for (2S)-1-fluoro-2,3,3-trimethylbutan-2-ol?
The canonical SMILES for (2S)-1-fluoro-2,3,3-trimethylbutan-2-ol is CC(C)(C)[C@](C)(O)CF.
What is the InChIKey of (2S)-1-fluoro-2,3,3-trimethylbutan-2-ol?
The InChIKey is BNTXHGVNTZECEE-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15FO/c1-6(2,3)7(4,9)5-8/h9H,5H2,1-4H3/t7-/m1/s1.
What are the key properties of (2S)-1-fluoro-2,3,3-trimethylbutan-2-ol?
(2S)-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 (2S)-1-fluoro-2,3,3-trimethylbutan-2-ol is sourced from PubChem (CID 171604133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).