(3R,4R)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-amine

C14H19FN2O — CID 141112500

IUPAC(3R,4R)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-amine
SMILESCC1(C)CN([C@H]2COC[C@@H]2N)c2ccc(F)cc21
InChIInChI=1S/C14H19FN2O/c1-14(2)8-17(13-7-18-6-11(13)16)12-4-3-9(15)5-10(12)14/h3-5,11,13H,6-8,16H2,1-2H3/t11-,13-/m0/s1
InChIKeyVLFQYSICSUFYOW-AAEUAGOBSA-N
MW250.32 g/mol
LogP1.65
Rot. Bonds1

About (3R,4R)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-amine

(3R,4R)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-amine (PubChem CID 141112500) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (3R,4R)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-amine.

Molecular Properties

Compound Name(3R,4R)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-amine
PubChem CID141112500
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(3R,4R)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-amine
SMILESCC1(C)CN([C@H]2COC[C@@H]2N)c2ccc(F)cc21
InChIInChI=1S/C14H19FN2O/c1-14(2)8-17(13-7-18-6-11(13)16)12-4-3-9(15)5-10(12)14/h3-5,11,13H,6-8,16H2,1-2H3/t11-,13-/m0/s1
InChIKeyVLFQYSICSUFYOW-AAEUAGOBSA-N
XLogP1.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-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,4R)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-amine?
The IUPAC name of (3R,4R)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-amine (CID 141112500) is (3R,4R)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-amine.
What is the SMILES notation for (3R,4R)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-amine?
The canonical SMILES for (3R,4R)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-amine is CC1(C)CN([C@H]2COC[C@@H]2N)c2ccc(F)cc21.
What is the InChIKey of (3R,4R)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-amine?
The InChIKey is VLFQYSICSUFYOW-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-14(2)8-17(13-7-18-6-11(13)16)12-4-3-9(15)5-10(12)14/h3-5,11,13H,6-8,16H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of (3R,4R)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-amine?
(3R,4R)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-amine has a molecular weight of 250.32 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-amine is sourced from PubChem (CID 141112500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).