5,7-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine

C11H13F2NO — CID 82234747

IUPAC5,7-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1c2c(F)cc(F)cc2OCC1C
InChIInChI=1S/C11H13F2NO/c1-6-5-15-9-4-7(12)3-8(13)10(9)11(6)14-2/h3-4,6,11,14H,5H2,1-2H3
InChIKeyCFFLBBPHTUXJQY-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.25
Rot. Bonds1

About 5,7-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine

5,7-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82234747) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 5,7-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name5,7-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID82234747
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name5,7-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1c2c(F)cc(F)cc2OCC1C
InChIInChI=1S/C11H13F2NO/c1-6-5-15-9-4-7(12)3-8(13)10(9)11(6)14-2/h3-4,6,11,14H,5H2,1-2H3
InChIKeyCFFLBBPHTUXJQY-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-4,6-difluoro-2,3-dihydro-1-benzofuran
CID 171497212
4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 75480738
6,8-difluoro-N,4-dimethyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 105411726
4,6-difluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049517
N-cyclopropyl-4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine
CID 62786136
N-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524377
7,8-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82234776
N-ethyl-4,6-difluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 62784825
(1aR,7bS)-5,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxylic acid
CID 67175553
8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43537828
6-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 79982701
N-(4-bromo-3-fluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524228

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 5,7-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine (CID 82234747) is 5,7-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 5,7-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 5,7-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine is CNC1c2c(F)cc(F)cc2OCC1C.
What is the InChIKey of 5,7-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is CFFLBBPHTUXJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-6-5-15-9-4-7(12)3-8(13)10(9)11(6)14-2/h3-4,6,11,14H,5H2,1-2H3.
What are the key properties of 5,7-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine?
5,7-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 213.23 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82234747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).