3-(2,2-difluorocyclopropyl)-2-fluorophenol

C9H7F3O — CID 162357591

IUPAC3-(2,2-difluorocyclopropyl)-2-fluorophenol
SMILESOc1cccc(C2CC2(F)F)c1F
InChIInChI=1S/C9H7F3O/c10-8-5(2-1-3-7(8)13)6-4-9(6,11)12/h1-3,6,13H,4H2
InChIKeyDQJGEDKJHUWYCJ-UHFFFAOYSA-N
MW188.15 g/mol
LogP2.65
Rot. Bonds1

About 3-(2,2-difluorocyclopropyl)-2-fluorophenol

3-(2,2-difluorocyclopropyl)-2-fluorophenol (PubChem CID 162357591) has the molecular formula C9H7F3O and a molecular weight of 188.15 g/mol. Its IUPAC name is 3-(2,2-difluorocyclopropyl)-2-fluorophenol.

Molecular Properties

Compound Name3-(2,2-difluorocyclopropyl)-2-fluorophenol
PubChem CID162357591
Molecular FormulaC9H7F3O
Molecular Weight188.15 g/mol
Exact Mass188.04
IUPAC Name3-(2,2-difluorocyclopropyl)-2-fluorophenol
SMILESOc1cccc(C2CC2(F)F)c1F
InChIInChI=1S/C9H7F3O/c10-8-5(2-1-3-7(8)13)6-4-9(6,11)12/h1-3,6,13H,4H2
InChIKeyDQJGEDKJHUWYCJ-UHFFFAOYSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluorocyclopropyl)-2-fluorophenol?
The IUPAC name of 3-(2,2-difluorocyclopropyl)-2-fluorophenol (CID 162357591) is 3-(2,2-difluorocyclopropyl)-2-fluorophenol.
What is the SMILES notation for 3-(2,2-difluorocyclopropyl)-2-fluorophenol?
The canonical SMILES for 3-(2,2-difluorocyclopropyl)-2-fluorophenol is Oc1cccc(C2CC2(F)F)c1F.
What is the InChIKey of 3-(2,2-difluorocyclopropyl)-2-fluorophenol?
The InChIKey is DQJGEDKJHUWYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O/c10-8-5(2-1-3-7(8)13)6-4-9(6,11)12/h1-3,6,13H,4H2.
What are the key properties of 3-(2,2-difluorocyclopropyl)-2-fluorophenol?
3-(2,2-difluorocyclopropyl)-2-fluorophenol has a molecular weight of 188.15 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluorocyclopropyl)-2-fluorophenol is sourced from PubChem (CID 162357591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).