(1R)-1-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline

C15H13F2N — CID 138690017

IUPAC(1R)-1-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFc1ccc([C@@H]2NCCc3ccccc32)c(F)c1
InChIInChI=1S/C15H13F2N/c16-11-5-6-13(14(17)9-11)15-12-4-2-1-3-10(12)7-8-18-15/h1-6,9,15,18H,7-8H2/t15-/m1/s1
InChIKeyZXSRPAODPCXKOH-OAHLLOKOSA-N
MW245.27 g/mol
LogP3.20
Rot. Bonds1

About (1R)-1-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline

(1R)-1-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 138690017) has the molecular formula C15H13F2N and a molecular weight of 245.27 g/mol. Its IUPAC name is (1R)-1-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1R)-1-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID138690017
Molecular FormulaC15H13F2N
Molecular Weight245.27 g/mol
Exact Mass245.10
IUPAC Name(1R)-1-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFc1ccc([C@@H]2NCCc3ccccc32)c(F)c1
InChIInChI=1S/C15H13F2N/c16-11-5-6-13(14(17)9-11)15-12-4-2-1-3-10(12)7-8-18-15/h1-6,9,15,18H,7-8H2/t15-/m1/s1
InChIKeyZXSRPAODPCXKOH-OAHLLOKOSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

4-chloro-2-[(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]phenol
CID 96962536
1-(2,5-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 5032744
(1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 7010656
7-(2,3-difluorophenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 54276140
(1R)-1-(2-methylthiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 168869352
(1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 905885
1-(2,4-difluorophenyl)-3,4-dihydro-1H-isoquinolin-2-ide;pyrrolidin-1-ide;yttrium
CID 155742081
1-[(3,4-difluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 82922334
6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 52983529
1-(2,4-difluorophenyl)-1,2-dihydrophthalazine
CID 23299794
1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 83367596
1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106780917

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1R)-1-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline (CID 138690017) is (1R)-1-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1R)-1-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1R)-1-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline is Fc1ccc([C@@H]2NCCc3ccccc32)c(F)c1.
What is the InChIKey of (1R)-1-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ZXSRPAODPCXKOH-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H13F2N/c16-11-5-6-13(14(17)9-11)15-12-4-2-1-3-10(12)7-8-18-15/h1-6,9,15,18H,7-8H2/t15-/m1/s1.
What are the key properties of (1R)-1-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline?
(1R)-1-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 245.27 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 138690017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).