7,8-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine

C11H13F2NO — CID 82234776

IUPAC7,8-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1c2ccc(F)c(F)c2OCC1C
InChIInChI=1S/C11H13F2NO/c1-6-5-15-11-7(10(6)14-2)3-4-8(12)9(11)13/h3-4,6,10,14H,5H2,1-2H3
InChIKeyYPOSZLVJPKLQLS-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.25
Rot. Bonds1

About 7,8-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine

7,8-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82234776) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 7,8-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7,8-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID82234776
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name7,8-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1c2ccc(F)c(F)c2OCC1C
InChIInChI=1S/C11H13F2NO/c1-6-5-15-11-7(10(6)14-2)3-4-8(12)9(11)13/h3-4,6,10,14H,5H2,1-2H3
InChIKeyYPOSZLVJPKLQLS-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

N-ethyl-7,8-difluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 82236018
7,8-dichloro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43537588
methyl 6,7-difluoro-2,3-dihydro-1-benzofuran-3-carboxylate
CID 165462889
8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43537828
5,7-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82234747
7-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511838
5-chloro-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 114488512
6-bromo-N-ethyl-8-fluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43537674
N-ethyl-6,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049623
6-fluoro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83907576
(3S)-7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine;sulfuric acid
CID 169438417
1-[(3S)-7,8-difluoro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 15006717

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7,8-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine (CID 82234776) is 7,8-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7,8-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7,8-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine is CNC1c2ccc(F)c(F)c2OCC1C.
What is the InChIKey of 7,8-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YPOSZLVJPKLQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-6-5-15-11-7(10(6)14-2)3-4-8(12)9(11)13/h3-4,6,10,14H,5H2,1-2H3.
What are the key properties of 7,8-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine?
7,8-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 7,8-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82234776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).