(3S,4R)-3-amino-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-ol

C12H14F3NO2 — CID 15743522

IUPAC(3S,4R)-3-amino-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-ol
SMILESCC1(C)Oc2ccc(C(F)(F)F)cc2[C@@H](O)[C@@H]1N
InChIInChI=1S/C12H14F3NO2/c1-11(2)10(16)9(17)7-5-6(12(13,14)15)3-4-8(7)18-11/h3-5,9-10,17H,16H2,1-2H3/t9-,10+/m1/s1
InChIKeyGSBSKMUHXQNAFO-ZJUUUORDSA-N
MW261.24 g/mol
LogP2.24
Rot. Bonds

About (3S,4R)-3-amino-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-ol

(3S,4R)-3-amino-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-ol (PubChem CID 15743522) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is (3S,4R)-3-amino-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-amino-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-ol
PubChem CID15743522
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name(3S,4R)-3-amino-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-ol
SMILESCC1(C)Oc2ccc(C(F)(F)F)cc2[C@@H](O)[C@@H]1N
InChIInChI=1S/C12H14F3NO2/c1-11(2)10(16)9(17)7-5-6(12(13,14)15)3-4-8(7)18-11/h3-5,9-10,17H,16H2,1-2H3/t9-,10+/m1/s1
InChIKeyGSBSKMUHXQNAFO-ZJUUUORDSA-N
XLogP2.24
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-ol?
The IUPAC name of (3S,4R)-3-amino-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-ol (CID 15743522) is (3S,4R)-3-amino-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (3S,4R)-3-amino-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-ol?
The canonical SMILES for (3S,4R)-3-amino-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-ol is CC1(C)Oc2ccc(C(F)(F)F)cc2[C@@H](O)[C@@H]1N.
What is the InChIKey of (3S,4R)-3-amino-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-ol?
The InChIKey is GSBSKMUHXQNAFO-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-11(2)10(16)9(17)7-5-6(12(13,14)15)3-4-8(7)18-11/h3-5,9-10,17H,16H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (3S,4R)-3-amino-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-ol?
(3S,4R)-3-amino-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-ol has a molecular weight of 261.24 g/mol, XLogP of 2.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 15743522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).