3-(difluoromethyl)naphthalen-1-ol

C11H8F2O — CID 118820473

IUPAC3-(difluoromethyl)naphthalen-1-ol
SMILESOc1cc(C(F)F)cc2ccccc12
InChIInChI=1S/C11H8F2O/c12-11(13)8-5-7-3-1-2-4-9(7)10(14)6-8/h1-6,11,14H
InChIKeyOJYNTRSXWPUJQM-UHFFFAOYSA-N
MW194.18 g/mol
LogP3.48
Rot. Bonds1

About 3-(difluoromethyl)naphthalen-1-ol

3-(difluoromethyl)naphthalen-1-ol (PubChem CID 118820473) has the molecular formula C11H8F2O and a molecular weight of 194.18 g/mol. Its IUPAC name is 3-(difluoromethyl)naphthalen-1-ol.

Molecular Properties

Compound Name3-(difluoromethyl)naphthalen-1-ol
PubChem CID118820473
Molecular FormulaC11H8F2O
Molecular Weight194.18 g/mol
Exact Mass194.05
IUPAC Name3-(difluoromethyl)naphthalen-1-ol
SMILESOc1cc(C(F)F)cc2ccccc12
InChIInChI=1S/C11H8F2O/c12-11(13)8-5-7-3-1-2-4-9(7)10(14)6-8/h1-6,11,14H
InChIKeyOJYNTRSXWPUJQM-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)naphthalen-1-ol?
The IUPAC name of 3-(difluoromethyl)naphthalen-1-ol (CID 118820473) is 3-(difluoromethyl)naphthalen-1-ol.
What is the SMILES notation for 3-(difluoromethyl)naphthalen-1-ol?
The canonical SMILES for 3-(difluoromethyl)naphthalen-1-ol is Oc1cc(C(F)F)cc2ccccc12.
What is the InChIKey of 3-(difluoromethyl)naphthalen-1-ol?
The InChIKey is OJYNTRSXWPUJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2O/c12-11(13)8-5-7-3-1-2-4-9(7)10(14)6-8/h1-6,11,14H.
What are the key properties of 3-(difluoromethyl)naphthalen-1-ol?
3-(difluoromethyl)naphthalen-1-ol has a molecular weight of 194.18 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)naphthalen-1-ol is sourced from PubChem (CID 118820473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).