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

C13H16FNO — CID 83910538

IUPAC1-[(8-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]cyclopropan-1-amine
SMILESNC1(CC2CCOc3c(F)cccc32)CC1
InChIInChI=1S/C13H16FNO/c14-11-3-1-2-10-9(4-7-16-12(10)11)8-13(15)5-6-13/h1-3,9H,4-8,15H2
InChIKeyULSFBLFTBZFHSD-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.57
Rot. Bonds2

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

1-[(8-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]cyclopropan-1-amine (PubChem CID 83910538) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 1-[(8-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(8-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]cyclopropan-1-amine
PubChem CID83910538
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name1-[(8-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]cyclopropan-1-amine
SMILESNC1(CC2CCOc3c(F)cccc32)CC1
InChIInChI=1S/C13H16FNO/c14-11-3-1-2-10-9(4-7-16-12(10)11)8-13(15)5-6-13/h1-3,9H,4-8,15H2
InChIKeyULSFBLFTBZFHSD-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(8-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(8-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]cyclopropan-1-amine (CID 83910538) is 1-[(8-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(8-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(8-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]cyclopropan-1-amine is NC1(CC2CCOc3c(F)cccc32)CC1.
What is the InChIKey of 1-[(8-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]cyclopropan-1-amine?
The InChIKey is ULSFBLFTBZFHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-11-3-1-2-10-9(4-7-16-12(10)11)8-13(15)5-6-13/h1-3,9H,4-8,15H2.
What are the key properties of 1-[(8-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]cyclopropan-1-amine?
1-[(8-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]cyclopropan-1-amine has a molecular weight of 221.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 83910538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).