(1R,2R)-5,8-difluoro-2-methyl-1,2-dihydronaphthalen-1-ol

C11H10F2O — CID 130957504

IUPAC(1R,2R)-5,8-difluoro-2-methyl-1,2-dihydronaphthalen-1-ol
SMILESC[C@@H]1C=Cc2c(F)ccc(F)c2[C@@H]1O
InChIInChI=1S/C11H10F2O/c1-6-2-3-7-8(12)4-5-9(13)10(7)11(6)14/h2-6,11,14H,1H3/t6-,11-/m1/s1
InChIKeyYSFISZIFOHCGRM-KSBSHMNSSA-N
MW196.20 g/mol
LogP2.66
Rot. Bonds

About (1R,2R)-5,8-difluoro-2-methyl-1,2-dihydronaphthalen-1-ol

(1R,2R)-5,8-difluoro-2-methyl-1,2-dihydronaphthalen-1-ol (PubChem CID 130957504) has the molecular formula C11H10F2O and a molecular weight of 196.20 g/mol. Its IUPAC name is (1R,2R)-5,8-difluoro-2-methyl-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,2R)-5,8-difluoro-2-methyl-1,2-dihydronaphthalen-1-ol
PubChem CID130957504
Molecular FormulaC11H10F2O
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(1R,2R)-5,8-difluoro-2-methyl-1,2-dihydronaphthalen-1-ol
SMILESC[C@@H]1C=Cc2c(F)ccc(F)c2[C@@H]1O
InChIInChI=1S/C11H10F2O/c1-6-2-3-7-8(12)4-5-9(13)10(7)11(6)14/h2-6,11,14H,1H3/t6-,11-/m1/s1
InChIKeyYSFISZIFOHCGRM-KSBSHMNSSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-5,8-difluoro-2-methyl-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1R,2R)-5,8-difluoro-2-methyl-1,2-dihydronaphthalen-1-ol (CID 130957504) is (1R,2R)-5,8-difluoro-2-methyl-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1R,2R)-5,8-difluoro-2-methyl-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1R,2R)-5,8-difluoro-2-methyl-1,2-dihydronaphthalen-1-ol is C[C@@H]1C=Cc2c(F)ccc(F)c2[C@@H]1O.
What is the InChIKey of (1R,2R)-5,8-difluoro-2-methyl-1,2-dihydronaphthalen-1-ol?
The InChIKey is YSFISZIFOHCGRM-KSBSHMNSSA-N. The full InChI is InChI=1S/C11H10F2O/c1-6-2-3-7-8(12)4-5-9(13)10(7)11(6)14/h2-6,11,14H,1H3/t6-,11-/m1/s1.
What are the key properties of (1R,2R)-5,8-difluoro-2-methyl-1,2-dihydronaphthalen-1-ol?
(1R,2R)-5,8-difluoro-2-methyl-1,2-dihydronaphthalen-1-ol has a molecular weight of 196.20 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-5,8-difluoro-2-methyl-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 130957504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).