1-cyclopropyl-2,2-difluoroethanol

C5H8F2O — CID 80611193

IUPAC1-cyclopropyl-2,2-difluoroethanol
SMILESOC(C(F)F)C1CC1
InChIInChI=1S/C5H8F2O/c6-5(7)4(8)3-1-2-3/h3-5,8H,1-2H2
InChIKeyJOFBPBKYYUJBBV-UHFFFAOYSA-N
MW122.11 g/mol
LogP1.02
Rot. Bonds2

About 1-cyclopropyl-2,2-difluoroethanol

1-cyclopropyl-2,2-difluoroethanol (PubChem CID 80611193) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is 1-cyclopropyl-2,2-difluoroethanol.

Molecular Properties

Compound Name1-cyclopropyl-2,2-difluoroethanol
PubChem CID80611193
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name1-cyclopropyl-2,2-difluoroethanol
SMILESOC(C(F)F)C1CC1
InChIInChI=1S/C5H8F2O/c6-5(7)4(8)3-1-2-3/h3-5,8H,1-2H2
InChIKeyJOFBPBKYYUJBBV-UHFFFAOYSA-N
XLogP1.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 1-cyclopropyl-2,2-difluoroethanol?
The IUPAC name of 1-cyclopropyl-2,2-difluoroethanol (CID 80611193) is 1-cyclopropyl-2,2-difluoroethanol.
What is the SMILES notation for 1-cyclopropyl-2,2-difluoroethanol?
The canonical SMILES for 1-cyclopropyl-2,2-difluoroethanol is OC(C(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-2,2-difluoroethanol?
The InChIKey is JOFBPBKYYUJBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O/c6-5(7)4(8)3-1-2-3/h3-5,8H,1-2H2.
What are the key properties of 1-cyclopropyl-2,2-difluoroethanol?
1-cyclopropyl-2,2-difluoroethanol has a molecular weight of 122.11 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,2-difluoroethanol is sourced from PubChem (CID 80611193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).