(1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine

C10H10F2N2 — CID 130708718

IUPAC(1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine
SMILESN[C@@H](c1ccc2cc[nH]c2c1)C(F)F
InChIInChI=1S/C10H10F2N2/c11-10(12)9(13)7-2-1-6-3-4-14-8(6)5-7/h1-5,9-10,14H,13H2/t9-/m0/s1
InChIKeyINFXYYPZMVOYLD-VIFPVBQESA-N
MW196.20 g/mol
LogP2.43
Rot. Bonds2

About (1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine

(1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine (PubChem CID 130708718) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is (1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine.

Molecular Properties

Compound Name(1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine
PubChem CID130708718
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC Name(1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine
SMILESN[C@@H](c1ccc2cc[nH]c2c1)C(F)F
InChIInChI=1S/C10H10F2N2/c11-10(12)9(13)7-2-1-6-3-4-14-8(6)5-7/h1-5,9-10,14H,13H2/t9-/m0/s1
InChIKeyINFXYYPZMVOYLD-VIFPVBQESA-N
XLogP2.43
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol
CID 131064485
(1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine
CID 131447167
(1R)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine
CID 66510965
(1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine
CID 171205624
(1S)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine;hydrochloride
CID 171248192
(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride
CID 171268278
1-(1H-indol-6-yl)propane-1,3-diamine
CID 131197541
(1R)-2,2,3,3,3-pentafluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride
CID 171312375
(1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride
CID 171225183
(1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
CID 171268293
(1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
CID 171262620
(R)-1H-indol-6-yl(thiophen-3-yl)methanamine
CID 171225193

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine?
The IUPAC name of (1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine (CID 130708718) is (1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine.
What is the SMILES notation for (1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine?
The canonical SMILES for (1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine is N[C@@H](c1ccc2cc[nH]c2c1)C(F)F.
What is the InChIKey of (1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine?
The InChIKey is INFXYYPZMVOYLD-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10F2N2/c11-10(12)9(13)7-2-1-6-3-4-14-8(6)5-7/h1-5,9-10,14H,13H2/t9-/m0/s1.
What are the key properties of (1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine?
(1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine has a molecular weight of 196.20 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine is sourced from PubChem (CID 130708718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).