6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine

C10H11F2NO — CID 130952274

IUPAC6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CCOc2cc(F)c(F)cc21
InChIInChI=1S/C10H11F2NO/c1-13-9-2-3-14-10-5-8(12)7(11)4-6(9)10/h4-5,9,13H,2-3H2,1H3
InChIKeyPUKCNHGKZYEGKB-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.01
Rot. Bonds1

About 6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine

6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 130952274) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID130952274
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CCOc2cc(F)c(F)cc21
InChIInChI=1S/C10H11F2NO/c1-13-9-2-3-14-10-5-8(12)7(11)4-6(9)10/h4-5,9,13H,2-3H2,1H3
InChIKeyPUKCNHGKZYEGKB-UHFFFAOYSA-N
XLogP2.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 107170028
6-chloro-N,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82461683
7-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 130820671
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
N-methyl-7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 172780354
7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43511971
8-chloro-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 60970601
1-[(4R)-6-fluoro-7-methyl-3,4-dihydro-2H-chromen-4-yl]piperidine
CID 145285266
8-bromo-7-fluoro-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 83234979
N-[(4S)-6,7-difluoro-3,4-dihydro-2H-chromen-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxamide
CID 175864099
8-bromo-7-fluoro-N-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 83234816
N-methyl-7-thiophen-2-ylsulfanyl-3,4-dihydro-2H-chromen-4-amine
CID 172719708

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 130952274) is 6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CCOc2cc(F)c(F)cc21.
What is the InChIKey of 6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is PUKCNHGKZYEGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-13-9-2-3-14-10-5-8(12)7(11)4-6(9)10/h4-5,9,13H,2-3H2,1H3.
What are the key properties of 6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 199.20 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 130952274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).