8-cyclopropyl-5,6-difluoronaphthalen-1-ol

C13H10F2O — CID 175961016

IUPAC8-cyclopropyl-5,6-difluoronaphthalen-1-ol
SMILESOc1cccc2c(F)c(F)cc(C3CC3)c12
InChIInChI=1S/C13H10F2O/c14-10-6-9(7-4-5-7)12-8(13(10)15)2-1-3-11(12)16/h1-3,6-7,16H,4-5H2
InChIKeyBXYAVNOVORZOJL-UHFFFAOYSA-N
MW220.22 g/mol
LogP3.70
Rot. Bonds1

About 8-cyclopropyl-5,6-difluoronaphthalen-1-ol

8-cyclopropyl-5,6-difluoronaphthalen-1-ol (PubChem CID 175961016) has the molecular formula C13H10F2O and a molecular weight of 220.22 g/mol. Its IUPAC name is 8-cyclopropyl-5,6-difluoronaphthalen-1-ol.

Molecular Properties

Compound Name8-cyclopropyl-5,6-difluoronaphthalen-1-ol
PubChem CID175961016
Molecular FormulaC13H10F2O
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name8-cyclopropyl-5,6-difluoronaphthalen-1-ol
SMILESOc1cccc2c(F)c(F)cc(C3CC3)c12
InChIInChI=1S/C13H10F2O/c14-10-6-9(7-4-5-7)12-8(13(10)15)2-1-3-11(12)16/h1-3,6-7,16H,4-5H2
InChIKeyBXYAVNOVORZOJL-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 8-cyclopropyl-5,6-difluoronaphthalen-1-ol?
The IUPAC name of 8-cyclopropyl-5,6-difluoronaphthalen-1-ol (CID 175961016) is 8-cyclopropyl-5,6-difluoronaphthalen-1-ol.
What is the SMILES notation for 8-cyclopropyl-5,6-difluoronaphthalen-1-ol?
The canonical SMILES for 8-cyclopropyl-5,6-difluoronaphthalen-1-ol is Oc1cccc2c(F)c(F)cc(C3CC3)c12.
What is the InChIKey of 8-cyclopropyl-5,6-difluoronaphthalen-1-ol?
The InChIKey is BXYAVNOVORZOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O/c14-10-6-9(7-4-5-7)12-8(13(10)15)2-1-3-11(12)16/h1-3,6-7,16H,4-5H2.
What are the key properties of 8-cyclopropyl-5,6-difluoronaphthalen-1-ol?
8-cyclopropyl-5,6-difluoronaphthalen-1-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 8-cyclopropyl-5,6-difluoronaphthalen-1-ol is sourced from PubChem (CID 175961016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).