2,2-dimethyl-7-(3,3,3-trifluoropropoxy)-3,4-dihydrochromen-4-amine

C14H18F3NO2 — CID 64553531

IUPAC2,2-dimethyl-7-(3,3,3-trifluoropropoxy)-3,4-dihydrochromen-4-amine
SMILESCC1(C)CC(N)c2ccc(OCCC(F)(F)F)cc2O1
InChIInChI=1S/C14H18F3NO2/c1-13(2)8-11(18)10-4-3-9(7-12(10)20-13)19-6-5-14(15,16)17/h3-4,7,11H,5-6,8,18H2,1-2H3
InChIKeyVGSPGHADEDPAGG-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.58
Rot. Bonds3

About 2,2-dimethyl-7-(3,3,3-trifluoropropoxy)-3,4-dihydrochromen-4-amine

2,2-dimethyl-7-(3,3,3-trifluoropropoxy)-3,4-dihydrochromen-4-amine (PubChem CID 64553531) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2,2-dimethyl-7-(3,3,3-trifluoropropoxy)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-7-(3,3,3-trifluoropropoxy)-3,4-dihydrochromen-4-amine
PubChem CID64553531
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name2,2-dimethyl-7-(3,3,3-trifluoropropoxy)-3,4-dihydrochromen-4-amine
SMILESCC1(C)CC(N)c2ccc(OCCC(F)(F)F)cc2O1
InChIInChI=1S/C14H18F3NO2/c1-13(2)8-11(18)10-4-3-9(7-12(10)20-13)19-6-5-14(15,16)17/h3-4,7,11H,5-6,8,18H2,1-2H3
InChIKeyVGSPGHADEDPAGG-UHFFFAOYSA-N
XLogP3.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-(3,3,3-trifluoropropoxy)-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2-dimethyl-7-(3,3,3-trifluoropropoxy)-3,4-dihydrochromen-4-amine (CID 64553531) is 2,2-dimethyl-7-(3,3,3-trifluoropropoxy)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2-dimethyl-7-(3,3,3-trifluoropropoxy)-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2-dimethyl-7-(3,3,3-trifluoropropoxy)-3,4-dihydrochromen-4-amine is CC1(C)CC(N)c2ccc(OCCC(F)(F)F)cc2O1.
What is the InChIKey of 2,2-dimethyl-7-(3,3,3-trifluoropropoxy)-3,4-dihydrochromen-4-amine?
The InChIKey is VGSPGHADEDPAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-13(2)8-11(18)10-4-3-9(7-12(10)20-13)19-6-5-14(15,16)17/h3-4,7,11H,5-6,8,18H2,1-2H3.
What are the key properties of 2,2-dimethyl-7-(3,3,3-trifluoropropoxy)-3,4-dihydrochromen-4-amine?
2,2-dimethyl-7-(3,3,3-trifluoropropoxy)-3,4-dihydrochromen-4-amine has a molecular weight of 289.30 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-(3,3,3-trifluoropropoxy)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 64553531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).