(3-ethenyl-2,2-difluorocyclopropyl)methanol

C6H8F2O — CID 171035724

IUPAC(3-ethenyl-2,2-difluorocyclopropyl)methanol
SMILESC=CC1C(CO)C1(F)F
InChIInChI=1S/C6H8F2O/c1-2-4-5(3-9)6(4,7)8/h2,4-5,9H,1,3H2
InChIKeyOGZZQJPRKPHCDB-UHFFFAOYSA-N
MW134.12 g/mol
LogP1.05
Rot. Bonds2

About (3-ethenyl-2,2-difluorocyclopropyl)methanol

(3-ethenyl-2,2-difluorocyclopropyl)methanol (PubChem CID 171035724) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is (3-ethenyl-2,2-difluorocyclopropyl)methanol.

Molecular Properties

Compound Name(3-ethenyl-2,2-difluorocyclopropyl)methanol
PubChem CID171035724
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name(3-ethenyl-2,2-difluorocyclopropyl)methanol
SMILESC=CC1C(CO)C1(F)F
InChIInChI=1S/C6H8F2O/c1-2-4-5(3-9)6(4,7)8/h2,4-5,9H,1,3H2
InChIKeyOGZZQJPRKPHCDB-UHFFFAOYSA-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 (3-ethenyl-2,2-difluorocyclopropyl)methanol?
The IUPAC name of (3-ethenyl-2,2-difluorocyclopropyl)methanol (CID 171035724) is (3-ethenyl-2,2-difluorocyclopropyl)methanol.
What is the SMILES notation for (3-ethenyl-2,2-difluorocyclopropyl)methanol?
The canonical SMILES for (3-ethenyl-2,2-difluorocyclopropyl)methanol is C=CC1C(CO)C1(F)F.
What is the InChIKey of (3-ethenyl-2,2-difluorocyclopropyl)methanol?
The InChIKey is OGZZQJPRKPHCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O/c1-2-4-5(3-9)6(4,7)8/h2,4-5,9H,1,3H2.
What are the key properties of (3-ethenyl-2,2-difluorocyclopropyl)methanol?
(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 (3-ethenyl-2,2-difluorocyclopropyl)methanol is sourced from PubChem (CID 171035724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).