ethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline

C14H24FN — CID 145372798

IUPACethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC.CC.Cc1cc2c(cc1F)CNCC2
InChIInChI=1S/C10H12FN.2C2H6/c1-7-4-8-2-3-12-6-9(8)5-10(7)11;2*1-2/h4-5,12H,2-3,6H2,1H3;2*1-2H3
InChIKeyUXDOVOJDDPSBMX-UHFFFAOYSA-N
MW225.35 g/mol
LogP3.83
Rot. Bonds

About ethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline

ethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 145372798) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is ethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Nameethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID145372798
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Nameethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC.CC.Cc1cc2c(cc1F)CNCC2
InChIInChI=1S/C10H12FN.2C2H6/c1-7-4-8-2-3-12-6-9(8)5-10(7)11;2*1-2/h4-5,12H,2-3,6H2,1H3;2*1-2H3
InChIKeyUXDOVOJDDPSBMX-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of ethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline (CID 145372798) is ethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for ethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for ethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline is CC.CC.Cc1cc2c(cc1F)CNCC2.
What is the InChIKey of ethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UXDOVOJDDPSBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN.2C2H6/c1-7-4-8-2-3-12-6-9(8)5-10(7)11;2*1-2/h4-5,12H,2-3,6H2,1H3;2*1-2H3.
What are the key properties of ethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline?
ethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 225.35 g/mol, XLogP of 3.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 145372798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).