2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine

C15H12ClF2NO — CID 114708584

IUPAC2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(c2ccc(F)c(Cl)c2)Oc2ccc(F)cc21
InChIInChI=1S/C15H12ClF2NO/c16-11-5-8(1-3-12(11)18)15-7-13(19)10-6-9(17)2-4-14(10)20-15/h1-6,13,15H,7,19H2
InChIKeyYANJQNXOXKTRCX-UHFFFAOYSA-N
MW295.72 g/mol
LogP4.14
Rot. Bonds1

About 2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine

2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114708584) has the molecular formula C15H12ClF2NO and a molecular weight of 295.72 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
PubChem CID114708584
Molecular FormulaC15H12ClF2NO
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Name2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(c2ccc(F)c(Cl)c2)Oc2ccc(F)cc21
InChIInChI=1S/C15H12ClF2NO/c16-11-5-8(1-3-12(11)18)15-7-13(19)10-6-9(17)2-4-14(10)20-15/h1-6,13,15H,7,19H2
InChIKeyYANJQNXOXKTRCX-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708988
(4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947442
(4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104980311
(4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944378
4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol
CID 104944205
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 114708908
(4R)-2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 104944930
6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708524
(4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944424
(4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944427
(4S)-6-chloro-2-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945215
6-chloro-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709097

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine (CID 114708584) is 2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine is NC1CC(c2ccc(F)c(Cl)c2)Oc2ccc(F)cc21.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YANJQNXOXKTRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO/c16-11-5-8(1-3-12(11)18)15-7-13(19)10-6-9(17)2-4-14(10)20-15/h1-6,13,15H,7,19H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 295.72 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114708584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).