5,7-difluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-ol

C11H12F2O — CID 167217475

IUPAC5,7-difluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCc1c(F)cc2c(c1F)CCC(O)C2
InChIInChI=1S/C11H12F2O/c1-6-10(12)5-7-4-8(14)2-3-9(7)11(6)13/h5,8,14H,2-4H2,1H3
InChIKeyDRALJFKDPGMUAS-UHFFFAOYSA-N
MW198.21 g/mol
LogP2.12
Rot. Bonds

About 5,7-difluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-ol

5,7-difluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 167217475) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is 5,7-difluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5,7-difluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID167217475
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name5,7-difluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCc1c(F)cc2c(c1F)CCC(O)C2
InChIInChI=1S/C11H12F2O/c1-6-10(12)5-7-4-8(14)2-3-9(7)11(6)13/h5,8,14H,2-4H2,1H3
InChIKeyDRALJFKDPGMUAS-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of 5,7-difluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-ol (CID 167217475) is 5,7-difluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5,7-difluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5,7-difluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-ol is Cc1c(F)cc2c(c1F)CCC(O)C2.
What is the InChIKey of 5,7-difluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is DRALJFKDPGMUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c1-6-10(12)5-7-4-8(14)2-3-9(7)11(6)13/h5,8,14H,2-4H2,1H3.
What are the key properties of 5,7-difluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-ol?
5,7-difluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 198.21 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 167217475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).