2-(5-fluoro-3,4-dihydro-1H-isochromen-1-yl)azetidine

C12H14FNO — CID 145138550

IUPAC2-(5-fluoro-3,4-dihydro-1H-isochromen-1-yl)azetidine
SMILESFc1cccc2c1CCOC2C1CCN1
InChIInChI=1S/C12H14FNO/c13-10-3-1-2-9-8(10)5-7-15-12(9)11-4-6-14-11/h1-3,11-12,14H,4-7H2
InChIKeyGRPJHCBAPZUHJT-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.80
Rot. Bonds1

About 2-(5-fluoro-3,4-dihydro-1H-isochromen-1-yl)azetidine

2-(5-fluoro-3,4-dihydro-1H-isochromen-1-yl)azetidine (PubChem CID 145138550) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-(5-fluoro-3,4-dihydro-1H-isochromen-1-yl)azetidine.

Molecular Properties

Compound Name2-(5-fluoro-3,4-dihydro-1H-isochromen-1-yl)azetidine
PubChem CID145138550
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name2-(5-fluoro-3,4-dihydro-1H-isochromen-1-yl)azetidine
SMILESFc1cccc2c1CCOC2C1CCN1
InChIInChI=1S/C12H14FNO/c13-10-3-1-2-9-8(10)5-7-15-12(9)11-4-6-14-11/h1-3,11-12,14H,4-7H2
InChIKeyGRPJHCBAPZUHJT-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-1H-isochromen-1-yl)azetidine;sulfane
CID 145138544
(2S)-2-[(1S)-6-chloro-3,4-dihydro-1H-isochromen-1-yl]azetidine;(2S)-2-[(1R)-6-chloro-3,4-dihydro-1H-isochromen-1-yl]azetidine
CID 158515907
1-cyclopropyl-5-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 62374085
3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazin-7-ol
CID 84673246
(2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine
CID 122456753
(2R)-2-[(1S)-6-methyl-3,4-dihydro-1H-isochromen-1-yl]azetidine;(2R)-2-[(1R)-6-methyl-3,4-dihydro-1H-isochromen-1-yl]azetidine;(2S)-2-[(1S)-6-methyl-3,4-dihydro-1H-isochromen-1-yl]azetidine;(2S)-2-[(1R)-6-methyl-3,4-dihydro-1H-isochromen-1-yl]azetidine
CID 165068397
(2S)-2-[(1S)-6-methyl-3,4-dihydro-1H-isochromen-1-yl]azetidine
CID 165068401
(2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine
CID 130639912
(2S)-2-[(1S)-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]pyrrolidine
CID 122456694
2-[(1R)-6-chloro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine
CID 122456666
4-fluoro-2,3-dihydro-1H-indene-1-thiol
CID 83070034
1-ethenyl-5-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 83359841

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3,4-dihydro-1H-isochromen-1-yl)azetidine?
The IUPAC name of 2-(5-fluoro-3,4-dihydro-1H-isochromen-1-yl)azetidine (CID 145138550) is 2-(5-fluoro-3,4-dihydro-1H-isochromen-1-yl)azetidine.
What is the SMILES notation for 2-(5-fluoro-3,4-dihydro-1H-isochromen-1-yl)azetidine?
The canonical SMILES for 2-(5-fluoro-3,4-dihydro-1H-isochromen-1-yl)azetidine is Fc1cccc2c1CCOC2C1CCN1.
What is the InChIKey of 2-(5-fluoro-3,4-dihydro-1H-isochromen-1-yl)azetidine?
The InChIKey is GRPJHCBAPZUHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c13-10-3-1-2-9-8(10)5-7-15-12(9)11-4-6-14-11/h1-3,11-12,14H,4-7H2.
What are the key properties of 2-(5-fluoro-3,4-dihydro-1H-isochromen-1-yl)azetidine?
2-(5-fluoro-3,4-dihydro-1H-isochromen-1-yl)azetidine has a molecular weight of 207.25 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3,4-dihydro-1H-isochromen-1-yl)azetidine is sourced from PubChem (CID 145138550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).