1-cyclopropyl-7,8-difluoronaphthalen-2-ol

C13H10F2O — CID 163669592

IUPAC1-cyclopropyl-7,8-difluoronaphthalen-2-ol
SMILESOc1ccc2ccc(F)c(F)c2c1C1CC1
InChIInChI=1S/C13H10F2O/c14-9-5-3-8-4-6-10(16)11(7-1-2-7)12(8)13(9)15/h3-7,16H,1-2H2
InChIKeyJBIVOAQFYLLDBR-UHFFFAOYSA-N
MW220.22 g/mol
LogP3.70
Rot. Bonds1

About 1-cyclopropyl-7,8-difluoronaphthalen-2-ol

1-cyclopropyl-7,8-difluoronaphthalen-2-ol (PubChem CID 163669592) has the molecular formula C13H10F2O and a molecular weight of 220.22 g/mol. Its IUPAC name is 1-cyclopropyl-7,8-difluoronaphthalen-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-7,8-difluoronaphthalen-2-ol
PubChem CID163669592
Molecular FormulaC13H10F2O
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name1-cyclopropyl-7,8-difluoronaphthalen-2-ol
SMILESOc1ccc2ccc(F)c(F)c2c1C1CC1
InChIInChI=1S/C13H10F2O/c14-9-5-3-8-4-6-10(16)11(7-1-2-7)12(8)13(9)15/h3-7,16H,1-2H2
InChIKeyJBIVOAQFYLLDBR-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7,8-difluoronaphthalen-2-ol?
The IUPAC name of 1-cyclopropyl-7,8-difluoronaphthalen-2-ol (CID 163669592) is 1-cyclopropyl-7,8-difluoronaphthalen-2-ol.
What is the SMILES notation for 1-cyclopropyl-7,8-difluoronaphthalen-2-ol?
The canonical SMILES for 1-cyclopropyl-7,8-difluoronaphthalen-2-ol is Oc1ccc2ccc(F)c(F)c2c1C1CC1.
What is the InChIKey of 1-cyclopropyl-7,8-difluoronaphthalen-2-ol?
The InChIKey is JBIVOAQFYLLDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O/c14-9-5-3-8-4-6-10(16)11(7-1-2-7)12(8)13(9)15/h3-7,16H,1-2H2.
What are the key properties of 1-cyclopropyl-7,8-difluoronaphthalen-2-ol?
1-cyclopropyl-7,8-difluoronaphthalen-2-ol has a molecular weight of 220.22 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7,8-difluoronaphthalen-2-ol is sourced from PubChem (CID 163669592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).