[(1S)-2,2-difluoro-1-methylcyclopropyl]methanol

C5H8F2O — CID 92980110

IUPAC[(1S)-2,2-difluoro-1-methylcyclopropyl]methanol
SMILESC[C@@]1(CO)CC1(F)F
InChIInChI=1S/C5H8F2O/c1-4(3-8)2-5(4,6)7/h8H,2-3H2,1H3/t4-/m0/s1
InChIKeyLVSLCFWHJCUZNL-BYPYZUCNSA-N
MW122.11 g/mol
LogP1.02
Rot. Bonds1

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

[(1S)-2,2-difluoro-1-methylcyclopropyl]methanol (PubChem CID 92980110) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is [(1S)-2,2-difluoro-1-methylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S)-2,2-difluoro-1-methylcyclopropyl]methanol
PubChem CID92980110
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name[(1S)-2,2-difluoro-1-methylcyclopropyl]methanol
SMILESC[C@@]1(CO)CC1(F)F
InChIInChI=1S/C5H8F2O/c1-4(3-8)2-5(4,6)7/h8H,2-3H2,1H3/t4-/m0/s1
InChIKeyLVSLCFWHJCUZNL-BYPYZUCNSA-N
XLogP1.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.11
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2-difluoro-1-methylcyclopropyl]methanol?
The IUPAC name of [(1S)-2,2-difluoro-1-methylcyclopropyl]methanol (CID 92980110) is [(1S)-2,2-difluoro-1-methylcyclopropyl]methanol.
What is the SMILES notation for [(1S)-2,2-difluoro-1-methylcyclopropyl]methanol?
The canonical SMILES for [(1S)-2,2-difluoro-1-methylcyclopropyl]methanol is C[C@@]1(CO)CC1(F)F.
What is the InChIKey of [(1S)-2,2-difluoro-1-methylcyclopropyl]methanol?
The InChIKey is LVSLCFWHJCUZNL-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8F2O/c1-4(3-8)2-5(4,6)7/h8H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of [(1S)-2,2-difluoro-1-methylcyclopropyl]methanol?
[(1S)-2,2-difluoro-1-methylcyclopropyl]methanol has a molecular weight of 122.11 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2-difluoro-1-methylcyclopropyl]methanol is sourced from PubChem (CID 92980110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).