7-chloro-4,4-difluoro-2,3-dihydro-1H-isoquinoline

C9H8ClF2N — CID 84721787

IUPAC7-chloro-4,4-difluoro-2,3-dihydro-1H-isoquinoline
SMILESFC1(F)CNCc2cc(Cl)ccc21
InChIInChI=1S/C9H8ClF2N/c10-7-1-2-8-6(3-7)4-13-5-9(8,11)12/h1-3,13H,4-5H2
InChIKeyAKSXJLVHPONQIP-UHFFFAOYSA-N
MW203.62 g/mol
LogP2.54
Rot. Bonds

About 7-chloro-4,4-difluoro-2,3-dihydro-1H-isoquinoline

7-chloro-4,4-difluoro-2,3-dihydro-1H-isoquinoline (PubChem CID 84721787) has the molecular formula C9H8ClF2N and a molecular weight of 203.62 g/mol. Its IUPAC name is 7-chloro-4,4-difluoro-2,3-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-chloro-4,4-difluoro-2,3-dihydro-1H-isoquinoline
PubChem CID84721787
Molecular FormulaC9H8ClF2N
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name7-chloro-4,4-difluoro-2,3-dihydro-1H-isoquinoline
SMILESFC1(F)CNCc2cc(Cl)ccc21
InChIInChI=1S/C9H8ClF2N/c10-7-1-2-8-6(3-7)4-13-5-9(8,11)12/h1-3,13H,4-5H2
InChIKeyAKSXJLVHPONQIP-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4,4-difluoro-2,3-dihydro-1H-isoquinoline?
The IUPAC name of 7-chloro-4,4-difluoro-2,3-dihydro-1H-isoquinoline (CID 84721787) is 7-chloro-4,4-difluoro-2,3-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-chloro-4,4-difluoro-2,3-dihydro-1H-isoquinoline?
The canonical SMILES for 7-chloro-4,4-difluoro-2,3-dihydro-1H-isoquinoline is FC1(F)CNCc2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-4,4-difluoro-2,3-dihydro-1H-isoquinoline?
The InChIKey is AKSXJLVHPONQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2N/c10-7-1-2-8-6(3-7)4-13-5-9(8,11)12/h1-3,13H,4-5H2.
What are the key properties of 7-chloro-4,4-difluoro-2,3-dihydro-1H-isoquinoline?
7-chloro-4,4-difluoro-2,3-dihydro-1H-isoquinoline has a molecular weight of 203.62 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4,4-difluoro-2,3-dihydro-1H-isoquinoline is sourced from PubChem (CID 84721787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).