1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline

C12H14FN — CID 83367596

IUPAC1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline
SMILESFc1ccc2c(c1)CCNC2C1CC1
InChIInChI=1S/C12H14FN/c13-10-3-4-11-9(7-10)5-6-14-12(11)8-1-2-8/h3-4,7-8,12,14H,1-2,5-6H2
InChIKeyPPFYDVNBDDDIBU-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.42
Rot. Bonds1

About 1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline

1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline (PubChem CID 83367596) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline
PubChem CID83367596
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline
SMILESFc1ccc2c(c1)CCNC2C1CC1
InChIInChI=1S/C12H14FN/c13-10-3-4-11-9(7-10)5-6-14-12(11)8-1-2-8/h3-4,7-8,12,14H,1-2,5-6H2
InChIKeyPPFYDVNBDDDIBU-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-fluoro-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indole
CID 83877829
[(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
CID 96993138
1-cyclopropyl-5-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 62374085
2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanol
CID 105449024
4-chloro-2-[(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]phenol
CID 96962536
8-chloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline
CID 83358632
(2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine
CID 122456753
N-[(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]propan-2-amine
CID 105479508
3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperidine
CID 166747887
5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 16666328
1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 83352811
6-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one
CID 13368798

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline (CID 83367596) is 1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline is Fc1ccc2c(c1)CCNC2C1CC1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is PPFYDVNBDDDIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c13-10-3-4-11-9(7-10)5-6-14-12(11)8-1-2-8/h3-4,7-8,12,14H,1-2,5-6H2.
What are the key properties of 1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline?
1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 191.25 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 83367596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).