3-methyl-1,2,5,6-tetrahydronaphthalene;hydrofluoride

C11H15F — CID 144971731

IUPAC3-methyl-1,2,5,6-tetrahydronaphthalene;hydrofluoride
SMILESCC1=CC2=C(C=CCC2)CC1.F
InChIInChI=1S/C11H14.FH/c1-9-6-7-10-4-2-3-5-11(10)8-9;/h2,4,8H,3,5-7H2,1H3;1H
InChIKeyJWFPEGUNOUWMAQ-UHFFFAOYSA-N
MW166.24 g/mol
LogP3.53
Rot. Bonds

About 3-methyl-1,2,5,6-tetrahydronaphthalene;hydrofluoride

3-methyl-1,2,5,6-tetrahydronaphthalene;hydrofluoride (PubChem CID 144971731) has the molecular formula C11H15F and a molecular weight of 166.24 g/mol. Its IUPAC name is 3-methyl-1,2,5,6-tetrahydronaphthalene;hydrofluoride.

Molecular Properties

Compound Name3-methyl-1,2,5,6-tetrahydronaphthalene;hydrofluoride
PubChem CID144971731
Molecular FormulaC11H15F
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Name3-methyl-1,2,5,6-tetrahydronaphthalene;hydrofluoride
SMILESCC1=CC2=C(C=CCC2)CC1.F
InChIInChI=1S/C11H14.FH/c1-9-6-7-10-4-2-3-5-11(10)8-9;/h2,4,8H,3,5-7H2,1H3;1H
InChIKeyJWFPEGUNOUWMAQ-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,2,5,6-tetrahydroisoquinoline
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ethane;6-methyl-1,3,4,5-tetrahydro-2-benzofuran
CID 176929125
(2Z,8Z)-tricyclo[8.2.0.04,7]dodeca-1(10),2,4(7),8-tetraene
CID 59575046
1-methyl-1,2,5,6-tetrahydronaphthalene
CID 90700254
ethane;1,2,3,4,5,8-hexahydroheptalene
CID 143157913
2-chloro-4-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,3-diazecine
CID 146174732
1,3-dimethyl-4,5-dihydro-2H-indene
CID 158841865
ethane;6-methyl-3,4,7,8-tetrahydro-1H-quinolin-2-one
CID 143902089
(8E,12E)-9-methylcyclopentadeca-8,12-diene-1,7-dione
CID 10966868
12,12-dimethyl-9-[6-(3,4,7,8-tetrahydronaphthalen-2-yl)-3,4,7,8-tetrahydronaphthalen-2-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),4,6,9,14,17,19-octaene
CID 91511515

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,5,6-tetrahydronaphthalene;hydrofluoride?
The IUPAC name of 3-methyl-1,2,5,6-tetrahydronaphthalene;hydrofluoride (CID 144971731) is 3-methyl-1,2,5,6-tetrahydronaphthalene;hydrofluoride.
What is the SMILES notation for 3-methyl-1,2,5,6-tetrahydronaphthalene;hydrofluoride?
The canonical SMILES for 3-methyl-1,2,5,6-tetrahydronaphthalene;hydrofluoride is CC1=CC2=C(C=CCC2)CC1.F.
What is the InChIKey of 3-methyl-1,2,5,6-tetrahydronaphthalene;hydrofluoride?
The InChIKey is JWFPEGUNOUWMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.FH/c1-9-6-7-10-4-2-3-5-11(10)8-9;/h2,4,8H,3,5-7H2,1H3;1H.
What are the key properties of 3-methyl-1,2,5,6-tetrahydronaphthalene;hydrofluoride?
3-methyl-1,2,5,6-tetrahydronaphthalene;hydrofluoride has a molecular weight of 166.24 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,5,6-tetrahydronaphthalene;hydrofluoride is sourced from PubChem (CID 144971731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).