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

C15H13ClFNO — CID 104945891

IUPAC(4S)-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(c2c(F)cccc2Cl)Oc2ccccc21
InChIInChI=1S/C15H13ClFNO/c16-10-5-3-6-11(17)15(10)14-8-12(18)9-4-1-2-7-13(9)19-14/h1-7,12,14H,8,18H2/t12-,14?/m0/s1
InChIKeyOJPCGDNVJGLMFL-NBFOIZRFSA-N
MW277.73 g/mol
LogP4.00
Rot. Bonds1

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

(4S)-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104945891) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is (4S)-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104945891
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name(4S)-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(c2c(F)cccc2Cl)Oc2ccccc21
InChIInChI=1S/C15H13ClFNO/c16-10-5-3-6-11(17)15(10)14-8-12(18)9-4-1-2-7-13(9)19-14/h1-7,12,14H,8,18H2/t12-,14?/m0/s1
InChIKeyOJPCGDNVJGLMFL-NBFOIZRFSA-N
XLogP4.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104945891) is (4S)-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine is N[C@H]1CC(c2c(F)cccc2Cl)Oc2ccccc21.
What is the InChIKey of (4S)-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OJPCGDNVJGLMFL-NBFOIZRFSA-N. The full InChI is InChI=1S/C15H13ClFNO/c16-10-5-3-6-11(17)15(10)14-8-12(18)9-4-1-2-7-13(9)19-14/h1-7,12,14H,8,18H2/t12-,14?/m0/s1.
What are the key properties of (4S)-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 277.73 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104945891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).