(3R)-8-fluoro-N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine

C16H21F4NO3S — CID 54457734

IUPAC(3R)-8-fluoro-N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCC)[C@H]1COc2c(F)ccc(S(=O)(=O)C(F)(F)F)c2C1
InChIInChI=1S/C16H21F4NO3S/c1-3-7-21(8-4-2)11-9-12-14(25(22,23)16(18,19)20)6-5-13(17)15(12)24-10-11/h5-6,11H,3-4,7-10H2,1-2H3/t11-/m1/s1
InChIKeyWZKJEHBMUIWOFD-LLVKDONJSA-N
MW383.41 g/mol
LogP3.54
Rot. Bonds6

About (3R)-8-fluoro-N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine

(3R)-8-fluoro-N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine (PubChem CID 54457734) has the molecular formula C16H21F4NO3S and a molecular weight of 383.41 g/mol. Its IUPAC name is (3R)-8-fluoro-N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3R)-8-fluoro-N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine
PubChem CID54457734
Molecular FormulaC16H21F4NO3S
Molecular Weight383.41 g/mol
Exact Mass383.12
IUPAC Name(3R)-8-fluoro-N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCC)[C@H]1COc2c(F)ccc(S(=O)(=O)C(F)(F)F)c2C1
InChIInChI=1S/C16H21F4NO3S/c1-3-7-21(8-4-2)11-9-12-14(25(22,23)16(18,19)20)6-5-13(17)15(12)24-10-11/h5-6,11H,3-4,7-10H2,1-2H3/t11-/m1/s1
InChIKeyWZKJEHBMUIWOFD-LLVKDONJSA-N
XLogP3.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-8-fluoro-N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-8-fluoro-N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3R)-8-fluoro-N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine (CID 54457734) is (3R)-8-fluoro-N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3R)-8-fluoro-N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3R)-8-fluoro-N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine is CCCN(CCC)[C@H]1COc2c(F)ccc(S(=O)(=O)C(F)(F)F)c2C1.
What is the InChIKey of (3R)-8-fluoro-N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is WZKJEHBMUIWOFD-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21F4NO3S/c1-3-7-21(8-4-2)11-9-12-14(25(22,23)16(18,19)20)6-5-13(17)15(12)24-10-11/h5-6,11H,3-4,7-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-8-fluoro-N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine?
(3R)-8-fluoro-N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 383.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-fluoro-N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 54457734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).