5,7-difluoro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

C11H12F2O — CID 79732992

IUPAC5,7-difluoro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCc1c(F)cc(F)c2c1C(O)CCC2
InChIInChI=1S/C11H12F2O/c1-6-8(12)5-9(13)7-3-2-4-10(14)11(6)7/h5,10,14H,2-4H2,1H3
InChIKeyCRSCIXJUWOVRMS-UHFFFAOYSA-N
MW198.21 g/mol
LogP2.64
Rot. Bonds

About 5,7-difluoro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

5,7-difluoro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 79732992) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is 5,7-difluoro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5,7-difluoro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID79732992
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name5,7-difluoro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCc1c(F)cc(F)c2c1C(O)CCC2
InChIInChI=1S/C11H12F2O/c1-6-8(12)5-9(13)7-3-2-4-10(14)11(6)7/h5,10,14H,2-4H2,1H3
InChIKeyCRSCIXJUWOVRMS-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 5,7-difluoro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 79732992) is 5,7-difluoro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5,7-difluoro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5,7-difluoro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is Cc1c(F)cc(F)c2c1C(O)CCC2.
What is the InChIKey of 5,7-difluoro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is CRSCIXJUWOVRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c1-6-8(12)5-9(13)7-3-2-4-10(14)11(6)7/h5,10,14H,2-4H2,1H3.
What are the key properties of 5,7-difluoro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
5,7-difluoro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 198.21 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 79732992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).