4-cyclopropyl-1-(fluoromethoxy)isoquinoline

C13H12FNO — CID 151375832

IUPAC4-cyclopropyl-1-(fluoromethoxy)isoquinoline
SMILESFCOc1ncc(C2CC2)c2ccccc12
InChIInChI=1S/C13H12FNO/c14-8-16-13-11-4-2-1-3-10(11)12(7-15-13)9-5-6-9/h1-4,7,9H,5-6,8H2
InChIKeyORJWIRHYWCWGHX-UHFFFAOYSA-N
MW217.24 g/mol
LogP3.42
Rot. Bonds3

About 4-cyclopropyl-1-(fluoromethoxy)isoquinoline

4-cyclopropyl-1-(fluoromethoxy)isoquinoline (PubChem CID 151375832) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 4-cyclopropyl-1-(fluoromethoxy)isoquinoline.

Molecular Properties

Compound Name4-cyclopropyl-1-(fluoromethoxy)isoquinoline
PubChem CID151375832
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name4-cyclopropyl-1-(fluoromethoxy)isoquinoline
SMILESFCOc1ncc(C2CC2)c2ccccc12
InChIInChI=1S/C13H12FNO/c14-8-16-13-11-4-2-1-3-10(11)12(7-15-13)9-5-6-9/h1-4,7,9H,5-6,8H2
InChIKeyORJWIRHYWCWGHX-UHFFFAOYSA-N
XLogP3.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-(fluoromethoxy)isoquinoline?
The IUPAC name of 4-cyclopropyl-1-(fluoromethoxy)isoquinoline (CID 151375832) is 4-cyclopropyl-1-(fluoromethoxy)isoquinoline.
What is the SMILES notation for 4-cyclopropyl-1-(fluoromethoxy)isoquinoline?
The canonical SMILES for 4-cyclopropyl-1-(fluoromethoxy)isoquinoline is FCOc1ncc(C2CC2)c2ccccc12.
What is the InChIKey of 4-cyclopropyl-1-(fluoromethoxy)isoquinoline?
The InChIKey is ORJWIRHYWCWGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c14-8-16-13-11-4-2-1-3-10(11)12(7-15-13)9-5-6-9/h1-4,7,9H,5-6,8H2.
What are the key properties of 4-cyclopropyl-1-(fluoromethoxy)isoquinoline?
4-cyclopropyl-1-(fluoromethoxy)isoquinoline has a molecular weight of 217.24 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-(fluoromethoxy)isoquinoline is sourced from PubChem (CID 151375832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).