6,7-difluorospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]

C11H11F2N — CID 117273958

IUPAC6,7-difluorospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]
SMILESFc1cc2c(cc1F)C1(CC1)NCC2
InChIInChI=1S/C11H11F2N/c12-9-5-7-1-4-14-11(2-3-11)8(7)6-10(9)13/h5-6,14H,1-4H2
InChIKeyXUBHSRQPBGNPGO-UHFFFAOYSA-N
MW195.21 g/mol
LogP2.10
Rot. Bonds

About 6,7-difluorospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]

6,7-difluorospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane] (PubChem CID 117273958) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is 6,7-difluorospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane].

Molecular Properties

Compound Name6,7-difluorospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]
PubChem CID117273958
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name6,7-difluorospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]
SMILESFc1cc2c(cc1F)C1(CC1)NCC2
InChIInChI=1S/C11H11F2N/c12-9-5-7-1-4-14-11(2-3-11)8(7)6-10(9)13/h5-6,14H,1-4H2
InChIKeyXUBHSRQPBGNPGO-UHFFFAOYSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,7-difluorospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane] with MolForge

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Related Compounds

6-ethylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]
CID 138553902
6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 90156908
7-chlorospiro[2,3,4,5-tetrahydro-2-benzazepine-1,1'-cyclopropane]
CID 115025622
(3S)-6-fluorospiro[1,2-dihydroindene-3,2'-pyrrolidine]
CID 86327550
spiro[6,7-dihydro-5H-2,7-naphthyridine-8,1'-cyclopropane]-3-carboxylic acid
CID 139320972
5-fluorospiro[1,2-dihydroisoindole-3,1'-cyclopropane]
CID 115012818
spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]
CID 91557907
(1S)-7-fluoro-1-methyl-3,4-dihydro-2H-isoquinolin-1-ol
CID 155312725
5-bromospiro[1,2-dihydroindene-3,2'-pyrrolidine]
CID 46942192
8-bromospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]
CID 115042448
4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol
CID 117303885
(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-azetidine]
CID 124511846

Frequently Asked Questions

What is the IUPAC name of 6,7-difluorospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]?
The IUPAC name of 6,7-difluorospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane] (CID 117273958) is 6,7-difluorospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane].
What is the SMILES notation for 6,7-difluorospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]?
The canonical SMILES for 6,7-difluorospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane] is Fc1cc2c(cc1F)C1(CC1)NCC2.
What is the InChIKey of 6,7-difluorospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]?
The InChIKey is XUBHSRQPBGNPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c12-9-5-7-1-4-14-11(2-3-11)8(7)6-10(9)13/h5-6,14H,1-4H2.
What are the key properties of 6,7-difluorospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]?
6,7-difluorospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane] has a molecular weight of 195.21 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluorospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane] is sourced from PubChem (CID 117273958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).