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

C15H12ClF2NO — CID 104980311

IUPAC(4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(c2ccc(Cl)cc2F)Oc2ccc(F)cc21
InChIInChI=1S/C15H12ClF2NO/c16-8-1-3-10(12(18)5-8)15-7-13(19)11-6-9(17)2-4-14(11)20-15/h1-6,13,15H,7,19H2/t13-,15?/m0/s1
InChIKeyAQSZGGXMSIVODK-CFMCSPIPSA-N
MW295.72 g/mol
LogP4.14
Rot. Bonds1

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

(4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104980311) has the molecular formula C15H12ClF2NO and a molecular weight of 295.72 g/mol. Its IUPAC name is (4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
PubChem CID104980311
Molecular FormulaC15H12ClF2NO
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Name(4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(c2ccc(Cl)cc2F)Oc2ccc(F)cc21
InChIInChI=1S/C15H12ClF2NO/c16-8-1-3-10(12(18)5-8)15-7-13(19)11-6-9(17)2-4-14(11)20-15/h1-6,13,15H,7,19H2/t13-,15?/m0/s1
InChIKeyAQSZGGXMSIVODK-CFMCSPIPSA-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

(4R)-6-chloro-2-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104980323
(4R)-2-(4-chloro-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104980344
6-chloro-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709097
(4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944424
2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114708584
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946405
4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol
CID 104944205
6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708988
(4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945093
(4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944920
2-(4-fluoro-2-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709770
(4S)-2-(2,4-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946447

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine (CID 104980311) is (4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine is N[C@H]1CC(c2ccc(Cl)cc2F)Oc2ccc(F)cc21.
What is the InChIKey of (4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AQSZGGXMSIVODK-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H12ClF2NO/c16-8-1-3-10(12(18)5-8)15-7-13(19)11-6-9(17)2-4-14(11)20-15/h1-6,13,15H,7,19H2/t13-,15?/m0/s1.
What are the key properties of (4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-(4-chloro-2-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 (4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104980311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).