(1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine

C11H12F2N2 — CID 131619295

IUPAC(1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine
SMILESN[C@@H](CC(F)F)c1cccc2[nH]ccc12
InChIInChI=1S/C11H12F2N2/c12-11(13)6-9(14)7-2-1-3-10-8(7)4-5-15-10/h1-5,9,11,15H,6,14H2/t9-/m0/s1
InChIKeyABFAXSJCCICZHN-VIFPVBQESA-N
MW210.23 g/mol
LogP2.82
Rot. Bonds3

About (1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine

(1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine (PubChem CID 131619295) has the molecular formula C11H12F2N2 and a molecular weight of 210.23 g/mol. Its IUPAC name is (1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine
PubChem CID131619295
Molecular FormulaC11H12F2N2
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name(1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine
SMILESN[C@@H](CC(F)F)c1cccc2[nH]ccc12
InChIInChI=1S/C11H12F2N2/c12-11(13)6-9(14)7-2-1-3-10-8(7)4-5-15-10/h1-5,9,11,15H,6,14H2/t9-/m0/s1
InChIKeyABFAXSJCCICZHN-VIFPVBQESA-N
XLogP2.82
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

(1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine
CID 130708711
2-amino-2-(1H-indol-4-yl)ethanol
CID 55282534
(1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine
CID 131385428
(1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine
CID 171225082
(1S)-4,4,4-trifluoro-1-(1H-indol-4-yl)butan-1-amine;hydrochloride
CID 171225086
(4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol
CID 171205537
(1R)-1-(1H-indol-4-yl)pentane-1,5-diamine;hydrochloride
CID 171205497
(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
CID 55273031
(2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol
CID 171262562
(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol
CID 171268223
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
(3R)-3-amino-3-(1H-indol-4-yl)-2,2-dimethylpropan-1-ol
CID 131399130

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine?
The IUPAC name of (1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine (CID 131619295) is (1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine.
What is the SMILES notation for (1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine?
The canonical SMILES for (1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine is N[C@@H](CC(F)F)c1cccc2[nH]ccc12.
What is the InChIKey of (1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine?
The InChIKey is ABFAXSJCCICZHN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12F2N2/c12-11(13)6-9(14)7-2-1-3-10-8(7)4-5-15-10/h1-5,9,11,15H,6,14H2/t9-/m0/s1.
What are the key properties of (1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine?
(1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine has a molecular weight of 210.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine is sourced from PubChem (CID 131619295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).