(4R)-5,7-bis(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine

C11H9F6NO — CID 171252359

IUPAC(4R)-5,7-bis(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CCOc2cc(C(F)(F)F)cc(C(F)(F)F)c21
InChIInChI=1S/C11H9F6NO/c12-10(13,14)5-3-6(11(15,16)17)9-7(18)1-2-19-8(9)4-5/h3-4,7H,1-2,18H2/t7-/m1/s1
InChIKeyNXKMLSGPCMJVKS-SSDOTTSWSA-N
MW285.19 g/mol
LogP3.51
Rot. Bonds

About (4R)-5,7-bis(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine

(4R)-5,7-bis(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 171252359) has the molecular formula C11H9F6NO and a molecular weight of 285.19 g/mol. Its IUPAC name is (4R)-5,7-bis(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-5,7-bis(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID171252359
Molecular FormulaC11H9F6NO
Molecular Weight285.19 g/mol
Exact Mass285.06
IUPAC Name(4R)-5,7-bis(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CCOc2cc(C(F)(F)F)cc(C(F)(F)F)c21
InChIInChI=1S/C11H9F6NO/c12-10(13,14)5-3-6(11(15,16)17)9-7(18)1-2-19-8(9)4-5/h3-4,7H,1-2,18H2/t7-/m1/s1
InChIKeyNXKMLSGPCMJVKS-SSDOTTSWSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-5,7-bis(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-5,7-bis(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine (CID 171252359) is (4R)-5,7-bis(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-5,7-bis(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-5,7-bis(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CCOc2cc(C(F)(F)F)cc(C(F)(F)F)c21.
What is the InChIKey of (4R)-5,7-bis(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is NXKMLSGPCMJVKS-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H9F6NO/c12-10(13,14)5-3-6(11(15,16)17)9-7(18)1-2-19-8(9)4-5/h3-4,7H,1-2,18H2/t7-/m1/s1.
What are the key properties of (4R)-5,7-bis(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-5,7-bis(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 285.19 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,7-bis(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 171252359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).