4,6-difluoro-1,7-dimethyl-3,4-dihydroisoquinoline

C11H11F2N — CID 66749554

IUPAC4,6-difluoro-1,7-dimethyl-3,4-dihydroisoquinoline
SMILESCC1=NCC(F)c2cc(F)c(C)cc21
InChIInChI=1S/C11H11F2N/c1-6-3-8-7(2)14-5-11(13)9(8)4-10(6)12/h3-4,11H,5H2,1-2H3
InChIKeyBEGOXURDQRRPGX-UHFFFAOYSA-N
MW195.21 g/mol
LogP2.97
Rot. Bonds

About 4,6-difluoro-1,7-dimethyl-3,4-dihydroisoquinoline

4,6-difluoro-1,7-dimethyl-3,4-dihydroisoquinoline (PubChem CID 66749554) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is 4,6-difluoro-1,7-dimethyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name4,6-difluoro-1,7-dimethyl-3,4-dihydroisoquinoline
PubChem CID66749554
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name4,6-difluoro-1,7-dimethyl-3,4-dihydroisoquinoline
SMILESCC1=NCC(F)c2cc(F)c(C)cc21
InChIInChI=1S/C11H11F2N/c1-6-3-8-7(2)14-5-11(13)9(8)4-10(6)12/h3-4,11H,5H2,1-2H3
InChIKeyBEGOXURDQRRPGX-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1,7-dimethyl-3,4-dihydroisoquinoline?
The IUPAC name of 4,6-difluoro-1,7-dimethyl-3,4-dihydroisoquinoline (CID 66749554) is 4,6-difluoro-1,7-dimethyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 4,6-difluoro-1,7-dimethyl-3,4-dihydroisoquinoline?
The canonical SMILES for 4,6-difluoro-1,7-dimethyl-3,4-dihydroisoquinoline is CC1=NCC(F)c2cc(F)c(C)cc21.
What is the InChIKey of 4,6-difluoro-1,7-dimethyl-3,4-dihydroisoquinoline?
The InChIKey is BEGOXURDQRRPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c1-6-3-8-7(2)14-5-11(13)9(8)4-10(6)12/h3-4,11H,5H2,1-2H3.
What are the key properties of 4,6-difluoro-1,7-dimethyl-3,4-dihydroisoquinoline?
4,6-difluoro-1,7-dimethyl-3,4-dihydroisoquinoline has a molecular weight of 195.21 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1,7-dimethyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 66749554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).