(3R)-6-fluoro-3-methyl-3,4-dihydroisoquinoline

C10H10FN — CID 135043045

IUPAC(3R)-6-fluoro-3-methyl-3,4-dihydroisoquinoline
SMILESC[C@@H]1Cc2cc(F)ccc2C=N1
InChIInChI=1S/C10H10FN/c1-7-4-9-5-10(11)3-2-8(9)6-12-7/h2-3,5-7H,4H2,1H3/t7-/m1/s1
InChIKeyIKTAHQATQLDRPK-SSDOTTSWSA-N
MW163.19 g/mol
LogP2.19
Rot. Bonds

About (3R)-6-fluoro-3-methyl-3,4-dihydroisoquinoline

(3R)-6-fluoro-3-methyl-3,4-dihydroisoquinoline (PubChem CID 135043045) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is (3R)-6-fluoro-3-methyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name(3R)-6-fluoro-3-methyl-3,4-dihydroisoquinoline
PubChem CID135043045
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC Name(3R)-6-fluoro-3-methyl-3,4-dihydroisoquinoline
SMILESC[C@@H]1Cc2cc(F)ccc2C=N1
InChIInChI=1S/C10H10FN/c1-7-4-9-5-10(11)3-2-8(9)6-12-7/h2-3,5-7H,4H2,1H3/t7-/m1/s1
InChIKeyIKTAHQATQLDRPK-SSDOTTSWSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-Benzylidenecyclohexylamine
CID 75167
2-Propanamine, N-(phenylmethylene)-
CID 95962
3,4-Dihydroisoquinoline
CID 76705
N-benzylidene-2-phenylethanamine
CID 576350
Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide
CID 3073403
1-Phenyl-3,4-dihydroisoquinoline
CID 609926
1-Methyl-3,4-dihydroisoquinoline
CID 231502
2-(3-Fluorophenyl)-3,4,5,6-tetrahydro-pyridine
CID 12009050
1-Phenyl-3,4-dihydroisoquinoline hydrochloride
CID 12220823
1,3,3-Trimethyl-3,4-dihydroisoquinoline
CID 594161
1,4-Dimethyl-3,4-dihydroisoquinoline
CID 321435
1,3-Dimethyl-3,4-dihydroisoquinoline
CID 3245338

Frequently Asked Questions

What is the IUPAC name of (3R)-6-fluoro-3-methyl-3,4-dihydroisoquinoline?
The IUPAC name of (3R)-6-fluoro-3-methyl-3,4-dihydroisoquinoline (CID 135043045) is (3R)-6-fluoro-3-methyl-3,4-dihydroisoquinoline.
What is the SMILES notation for (3R)-6-fluoro-3-methyl-3,4-dihydroisoquinoline?
The canonical SMILES for (3R)-6-fluoro-3-methyl-3,4-dihydroisoquinoline is C[C@@H]1Cc2cc(F)ccc2C=N1.
What is the InChIKey of (3R)-6-fluoro-3-methyl-3,4-dihydroisoquinoline?
The InChIKey is IKTAHQATQLDRPK-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10FN/c1-7-4-9-5-10(11)3-2-8(9)6-12-7/h2-3,5-7H,4H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-6-fluoro-3-methyl-3,4-dihydroisoquinoline?
(3R)-6-fluoro-3-methyl-3,4-dihydroisoquinoline has a molecular weight of 163.19 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-fluoro-3-methyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 135043045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).