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

C15H12F3NO — CID 104947604

IUPAC(4S)-2-(2,3-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(c2cccc(F)c2F)Oc2cc(F)ccc21
InChIInChI=1S/C15H12F3NO/c16-8-4-5-9-12(19)7-14(20-13(9)6-8)10-2-1-3-11(17)15(10)18/h1-6,12,14H,7,19H2/t12-,14?/m0/s1
InChIKeyJJOIHPGKHJYDFE-NBFOIZRFSA-N
MW279.26 g/mol
LogP3.63
Rot. Bonds1

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

(4S)-2-(2,3-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104947604) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is (4S)-2-(2,3-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(2,3-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
PubChem CID104947604
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name(4S)-2-(2,3-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(c2cccc(F)c2F)Oc2cc(F)ccc21
InChIInChI=1S/C15H12F3NO/c16-8-4-5-9-12(19)7-14(20-13(9)6-8)10-2-1-3-11(17)15(10)18/h1-6,12,14H,7,19H2/t12-,14?/m0/s1
InChIKeyJJOIHPGKHJYDFE-NBFOIZRFSA-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

(4R)-2-(2,3-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947901
2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 106534742
2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114710248
(4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947762
(4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945572
7-fluoro-2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715763
(4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944424
(4R)-7-fluoro-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947898
4-[(4S)-4-amino-7-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
CID 104947690
(4R)-2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947998
(4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104980311
2-(3-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114708873

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2,3-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-(2,3-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine (CID 104947604) is (4S)-2-(2,3-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-(2,3-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-(2,3-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine is N[C@H]1CC(c2cccc(F)c2F)Oc2cc(F)ccc21.
What is the InChIKey of (4S)-2-(2,3-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is JJOIHPGKHJYDFE-NBFOIZRFSA-N. The full InChI is InChI=1S/C15H12F3NO/c16-8-4-5-9-12(19)7-14(20-13(9)6-8)10-2-1-3-11(17)15(10)18/h1-6,12,14H,7,19H2/t12-,14?/m0/s1.
What are the key properties of (4S)-2-(2,3-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-(2,3-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 (4S)-2-(2,3-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104947604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).