2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine

C15H12F3NO — CID 106534742

IUPAC2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(c2cc(F)cc(F)c2)Oc2cc(F)ccc21
InChIInChI=1S/C15H12F3NO/c16-9-1-2-12-13(19)7-14(20-15(12)6-9)8-3-10(17)5-11(18)4-8/h1-6,13-14H,7,19H2
InChIKeyRQNJRMHZOQCWLF-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.63
Rot. Bonds1

About 2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine

2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 106534742) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
PubChem CID106534742
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(c2cc(F)cc(F)c2)Oc2cc(F)ccc21
InChIInChI=1S/C15H12F3NO/c16-9-1-2-12-13(19)7-14(20-15(12)6-9)8-3-10(17)5-11(18)4-8/h1-6,13-14H,7,19H2
InChIKeyRQNJRMHZOQCWLF-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947762
4-[(4S)-4-amino-7-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
CID 104947690
7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710334
(4R)-7-fluoro-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947898
(4S)-2-(5-bromo-3-pyridinyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947651
6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 106534741
(4S)-2-(2,3-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947604
(4R)-2-(2,3-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947901
3-[(4R)-4-amino-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
CID 104946265
2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114710248
(4R)-2-(3-chloro-5-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944855
(4R)-2-(4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944806

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine (CID 106534742) is 2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine is NC1CC(c2cc(F)cc(F)c2)Oc2cc(F)ccc21.
What is the InChIKey of 2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RQNJRMHZOQCWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c16-9-1-2-12-13(19)7-14(20-15(12)6-9)8-3-10(17)5-11(18)4-8/h1-6,13-14H,7,19H2.
What are the key properties of 2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 279.26 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 106534742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).