6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene

C11H12F2O — CID 82076236

IUPAC6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene
SMILESFC(F)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C11H12F2O/c12-11(13)14-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2
InChIKeyYSFIIJMWCQWGJL-UHFFFAOYSA-N
MW198.21 g/mol
LogP3.17
Rot. Bonds2

About 6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene

6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene (PubChem CID 82076236) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is 6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene
PubChem CID82076236
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene
SMILESFC(F)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C11H12F2O/c12-11(13)14-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2
InChIKeyYSFIIJMWCQWGJL-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7669273
6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline
CID 16792853
9-(difluoromethoxy)-4-methyl-1,2,3,4,5,6-hexahydro-3-benzazocine
CID 64686605
3,3,3-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 61398898
6-(difluoromethoxy)-2,3-dihydro-1-benzofuran
CID 177206683
3-(2,3-dihydro-1H-inden-5-yloxy)butan-2-amine
CID 61354580
2-(2,3-dihydro-1H-inden-5-yloxy)propanal
CID 126971637
N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanimidamide
CID 76914985
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide
CID 82041277
1-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-one
CID 61398636
7-(difluoromethoxy)-5H-indeno[1,2-b]pyridine
CID 177204880
N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 62486153

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene (CID 82076236) is 6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene is FC(F)Oc1ccc2c(c1)CCCC2.
What is the InChIKey of 6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is YSFIIJMWCQWGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c12-11(13)14-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2.
What are the key properties of 6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 198.21 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 82076236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).