[(1R,2S)-2-(fluoromethyl)cyclobutyl]methanol

C6H11FO — CID 155904104

IUPAC[(1R,2S)-2-(fluoromethyl)cyclobutyl]methanol
SMILESOC[C@@H]1CC[C@@H]1CF
InChIInChI=1S/C6H11FO/c7-3-5-1-2-6(5)4-8/h5-6,8H,1-4H2/t5-,6+/m1/s1
InChIKeyZBYOLQGMDNFFIT-RITPCOANSA-N
MW118.15 g/mol
LogP0.97
Rot. Bonds2

About [(1R,2S)-2-(fluoromethyl)cyclobutyl]methanol

[(1R,2S)-2-(fluoromethyl)cyclobutyl]methanol (PubChem CID 155904104) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is [(1R,2S)-2-(fluoromethyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-(fluoromethyl)cyclobutyl]methanol
PubChem CID155904104
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name[(1R,2S)-2-(fluoromethyl)cyclobutyl]methanol
SMILESOC[C@@H]1CC[C@@H]1CF
InChIInChI=1S/C6H11FO/c7-3-5-1-2-6(5)4-8/h5-6,8H,1-4H2/t5-,6+/m1/s1
InChIKeyZBYOLQGMDNFFIT-RITPCOANSA-N
XLogP0.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(fluoromethyl)cyclobutyl]methanol?
The IUPAC name of [(1R,2S)-2-(fluoromethyl)cyclobutyl]methanol (CID 155904104) is [(1R,2S)-2-(fluoromethyl)cyclobutyl]methanol.
What is the SMILES notation for [(1R,2S)-2-(fluoromethyl)cyclobutyl]methanol?
The canonical SMILES for [(1R,2S)-2-(fluoromethyl)cyclobutyl]methanol is OC[C@@H]1CC[C@@H]1CF.
What is the InChIKey of [(1R,2S)-2-(fluoromethyl)cyclobutyl]methanol?
The InChIKey is ZBYOLQGMDNFFIT-RITPCOANSA-N. The full InChI is InChI=1S/C6H11FO/c7-3-5-1-2-6(5)4-8/h5-6,8H,1-4H2/t5-,6+/m1/s1.
What are the key properties of [(1R,2S)-2-(fluoromethyl)cyclobutyl]methanol?
[(1R,2S)-2-(fluoromethyl)cyclobutyl]methanol has a molecular weight of 118.15 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(fluoromethyl)cyclobutyl]methanol is sourced from PubChem (CID 155904104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).