(4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine

C10H10F3NO — CID 46911909

IUPAC(4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CCOc2c1cccc2C(F)(F)F
InChIInChI=1S/C10H10F3NO/c11-10(12,13)7-3-1-2-6-8(14)4-5-15-9(6)7/h1-3,8H,4-5,14H2/t8-/m1/s1
InChIKeySZKIIVYBHMLAKJ-MRVPVSSYSA-N
MW217.19 g/mol
LogP2.49
Rot. Bonds

About (4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine

(4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 46911909) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is (4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID46911909
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name(4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CCOc2c1cccc2C(F)(F)F
InChIInChI=1S/C10H10F3NO/c11-10(12,13)7-3-1-2-6-8(14)4-5-15-9(6)7/h1-3,8H,4-5,14H2/t8-/m1/s1
InChIKeySZKIIVYBHMLAKJ-MRVPVSSYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine (CID 46911909) is (4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CCOc2c1cccc2C(F)(F)F.
What is the InChIKey of (4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is SZKIIVYBHMLAKJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)7-3-1-2-6-8(14)4-5-15-9(6)7/h1-3,8H,4-5,14H2/t8-/m1/s1.
What are the key properties of (4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 217.19 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 46911909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).