(1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine

C10H11FN2 — CID 130708711

IUPAC(1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine
SMILESN[C@@H](CF)c1cccc2[nH]ccc12
InChIInChI=1S/C10H11FN2/c11-6-9(12)7-2-1-3-10-8(7)4-5-13-10/h1-5,9,13H,6,12H2/t9-/m0/s1
InChIKeyJINOCKXUOBLDBK-VIFPVBQESA-N
MW178.21 g/mol
LogP2.14
Rot. Bonds2

About (1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine

(1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine (PubChem CID 130708711) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is (1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine.

Molecular Properties

Compound Name(1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine
PubChem CID130708711
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name(1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine
SMILESN[C@@H](CF)c1cccc2[nH]ccc12
InChIInChI=1S/C10H11FN2/c11-6-9(12)7-2-1-3-10-8(7)4-5-13-10/h1-5,9,13H,6,12H2/t9-/m0/s1
InChIKeyJINOCKXUOBLDBK-VIFPVBQESA-N
XLogP2.14
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine
CID 131619295
(1S)-4,4,4-trifluoro-1-(1H-indol-4-yl)butan-1-amine;hydrochloride
CID 171225086
(1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine
CID 171225082
(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
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
(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
CID 55273031
(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol
CID 94841904
(2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol
CID 171262562

Frequently Asked Questions

What is the IUPAC name of (1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine?
The IUPAC name of (1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine (CID 130708711) is (1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine.
What is the SMILES notation for (1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine?
The canonical SMILES for (1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine is N[C@@H](CF)c1cccc2[nH]ccc12.
What is the InChIKey of (1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine?
The InChIKey is JINOCKXUOBLDBK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11FN2/c11-6-9(12)7-2-1-3-10-8(7)4-5-13-10/h1-5,9,13H,6,12H2/t9-/m0/s1.
What are the key properties of (1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine?
(1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine has a molecular weight of 178.21 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine is sourced from PubChem (CID 130708711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).