1-[(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)methyl]cyclopropan-1-amine

C13H15F2NO — CID 117350431

IUPAC1-[(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2c(F)cc(F)c3c2OCCC3)CC1
InChIInChI=1S/C13H15F2NO/c14-10-6-11(15)9(7-13(16)3-4-13)12-8(10)2-1-5-17-12/h6H,1-5,7,16H2
InChIKeyYHJHLUQGXHEZGB-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.32
Rot. Bonds2

About 1-[(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)methyl]cyclopropan-1-amine

1-[(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)methyl]cyclopropan-1-amine (PubChem CID 117350431) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is 1-[(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)methyl]cyclopropan-1-amine
PubChem CID117350431
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name1-[(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2c(F)cc(F)c3c2OCCC3)CC1
InChIInChI=1S/C13H15F2NO/c14-10-6-11(15)9(7-13(16)3-4-13)12-8(10)2-1-5-17-12/h6H,1-5,7,16H2
InChIKeyYHJHLUQGXHEZGB-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)methyl]cyclopropan-1-amine (CID 117350431) is 1-[(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)methyl]cyclopropan-1-amine is NC1(Cc2c(F)cc(F)c3c2OCCC3)CC1.
What is the InChIKey of 1-[(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)methyl]cyclopropan-1-amine?
The InChIKey is YHJHLUQGXHEZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c14-10-6-11(15)9(7-13(16)3-4-13)12-8(10)2-1-5-17-12/h6H,1-5,7,16H2.
What are the key properties of 1-[(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)methyl]cyclopropan-1-amine?
1-[(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)methyl]cyclopropan-1-amine has a molecular weight of 239.26 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117350431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).