[(1R,3R)-3-ethenyl-2,2-difluorocyclopropyl]methanol

C6H8F2O — CID 163203431

IUPAC[(1R,3R)-3-ethenyl-2,2-difluorocyclopropyl]methanol
SMILESC=C[C@@H]1[C@H](CO)C1(F)F
InChIInChI=1S/C6H8F2O/c1-2-4-5(3-9)6(4,7)8/h2,4-5,9H,1,3H2/t4-,5+/m1/s1
InChIKeyOGZZQJPRKPHCDB-UHNVWZDZSA-N
MW134.12 g/mol
LogP1.05
Rot. Bonds2

About [(1R,3R)-3-ethenyl-2,2-difluorocyclopropyl]methanol

[(1R,3R)-3-ethenyl-2,2-difluorocyclopropyl]methanol (PubChem CID 163203431) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is [(1R,3R)-3-ethenyl-2,2-difluorocyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,3R)-3-ethenyl-2,2-difluorocyclopropyl]methanol
PubChem CID163203431
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name[(1R,3R)-3-ethenyl-2,2-difluorocyclopropyl]methanol
SMILESC=C[C@@H]1[C@H](CO)C1(F)F
InChIInChI=1S/C6H8F2O/c1-2-4-5(3-9)6(4,7)8/h2,4-5,9H,1,3H2/t4-,5+/m1/s1
InChIKeyOGZZQJPRKPHCDB-UHNVWZDZSA-N
XLogP1.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-ethenyl-2,2-difluorocyclopropyl]methanol?
The IUPAC name of [(1R,3R)-3-ethenyl-2,2-difluorocyclopropyl]methanol (CID 163203431) is [(1R,3R)-3-ethenyl-2,2-difluorocyclopropyl]methanol.
What is the SMILES notation for [(1R,3R)-3-ethenyl-2,2-difluorocyclopropyl]methanol?
The canonical SMILES for [(1R,3R)-3-ethenyl-2,2-difluorocyclopropyl]methanol is C=C[C@@H]1[C@H](CO)C1(F)F.
What is the InChIKey of [(1R,3R)-3-ethenyl-2,2-difluorocyclopropyl]methanol?
The InChIKey is OGZZQJPRKPHCDB-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H8F2O/c1-2-4-5(3-9)6(4,7)8/h2,4-5,9H,1,3H2/t4-,5+/m1/s1.
What are the key properties of [(1R,3R)-3-ethenyl-2,2-difluorocyclopropyl]methanol?
[(1R,3R)-3-ethenyl-2,2-difluorocyclopropyl]methanol has a molecular weight of 134.12 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-ethenyl-2,2-difluorocyclopropyl]methanol is sourced from PubChem (CID 163203431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).