1-cyclopropyl-5-fluoro-1,2,3,4-tetrahydroisoquinoline

C12H14FN — CID 62374085

IUPAC1-cyclopropyl-5-fluoro-1,2,3,4-tetrahydroisoquinoline
SMILESFc1cccc2c1CCNC2C1CC1
InChIInChI=1S/C12H14FN/c13-11-3-1-2-10-9(11)6-7-14-12(10)8-4-5-8/h1-3,8,12,14H,4-7H2
InChIKeyQUAHSYPESFUISQ-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.42
Rot. Bonds1

About 1-cyclopropyl-5-fluoro-1,2,3,4-tetrahydroisoquinoline

1-cyclopropyl-5-fluoro-1,2,3,4-tetrahydroisoquinoline (PubChem CID 62374085) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 1-cyclopropyl-5-fluoro-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-cyclopropyl-5-fluoro-1,2,3,4-tetrahydroisoquinoline
PubChem CID62374085
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name1-cyclopropyl-5-fluoro-1,2,3,4-tetrahydroisoquinoline
SMILESFc1cccc2c1CCNC2C1CC1
InChIInChI=1S/C12H14FN/c13-11-3-1-2-10-9(11)6-7-14-12(10)8-4-5-8/h1-3,8,12,14H,4-7H2
InChIKeyQUAHSYPESFUISQ-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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-fluoro-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-cyclopropyl-5-fluoro-1,2,3,4-tetrahydroisoquinoline (CID 62374085) is 1-cyclopropyl-5-fluoro-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-cyclopropyl-5-fluoro-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-cyclopropyl-5-fluoro-1,2,3,4-tetrahydroisoquinoline is Fc1cccc2c1CCNC2C1CC1.
What is the InChIKey of 1-cyclopropyl-5-fluoro-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QUAHSYPESFUISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c13-11-3-1-2-10-9(11)6-7-14-12(10)8-4-5-8/h1-3,8,12,14H,4-7H2.
What are the key properties of 1-cyclopropyl-5-fluoro-1,2,3,4-tetrahydroisoquinoline?
1-cyclopropyl-5-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-5-fluoro-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 62374085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).