[(1S,2R)-1-fluoro-2-methylcyclopropyl]methanol

C5H9FO — CID 126677698

IUPAC[(1S,2R)-1-fluoro-2-methylcyclopropyl]methanol
SMILESC[C@@H]1C[C@@]1(F)CO
InChIInChI=1S/C5H9FO/c1-4-2-5(4,6)3-7/h4,7H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyUMDPHASYCCSJIF-RFZPGFLSSA-N
MW104.12 g/mol
LogP0.73
Rot. Bonds1

About [(1S,2R)-1-fluoro-2-methylcyclopropyl]methanol

[(1S,2R)-1-fluoro-2-methylcyclopropyl]methanol (PubChem CID 126677698) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is [(1S,2R)-1-fluoro-2-methylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-1-fluoro-2-methylcyclopropyl]methanol
PubChem CID126677698
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Name[(1S,2R)-1-fluoro-2-methylcyclopropyl]methanol
SMILESC[C@@H]1C[C@@]1(F)CO
InChIInChI=1S/C5H9FO/c1-4-2-5(4,6)3-7/h4,7H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyUMDPHASYCCSJIF-RFZPGFLSSA-N
XLogP0.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.12
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-fluoro-2-methylcyclopropyl]methanol?
The IUPAC name of [(1S,2R)-1-fluoro-2-methylcyclopropyl]methanol (CID 126677698) is [(1S,2R)-1-fluoro-2-methylcyclopropyl]methanol.
What is the SMILES notation for [(1S,2R)-1-fluoro-2-methylcyclopropyl]methanol?
The canonical SMILES for [(1S,2R)-1-fluoro-2-methylcyclopropyl]methanol is C[C@@H]1C[C@@]1(F)CO.
What is the InChIKey of [(1S,2R)-1-fluoro-2-methylcyclopropyl]methanol?
The InChIKey is UMDPHASYCCSJIF-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H9FO/c1-4-2-5(4,6)3-7/h4,7H,2-3H2,1H3/t4-,5-/m1/s1.
What are the key properties of [(1S,2R)-1-fluoro-2-methylcyclopropyl]methanol?
[(1S,2R)-1-fluoro-2-methylcyclopropyl]methanol has a molecular weight of 104.12 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-fluoro-2-methylcyclopropyl]methanol is sourced from PubChem (CID 126677698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).