5,6-difluoro-N-prop-1-ynyl-1H-indol-3-amine

C11H8F2N2 — CID 175446361

IUPAC5,6-difluoro-N-prop-1-ynyl-1H-indol-3-amine
SMILESCC#CNc1c[nH]c2cc(F)c(F)cc12
InChIInChI=1S/C11H8F2N2/c1-2-3-14-11-6-15-10-5-9(13)8(12)4-7(10)11/h4-6,14-15H,1H3
InChIKeyBLSQFZFCOLXUMS-UHFFFAOYSA-N
MW206.19 g/mol
LogP2.84
Rot. Bonds1

About 5,6-difluoro-N-prop-1-ynyl-1H-indol-3-amine

5,6-difluoro-N-prop-1-ynyl-1H-indol-3-amine (PubChem CID 175446361) has the molecular formula C11H8F2N2 and a molecular weight of 206.19 g/mol. Its IUPAC name is 5,6-difluoro-N-prop-1-ynyl-1H-indol-3-amine.

Molecular Properties

Compound Name5,6-difluoro-N-prop-1-ynyl-1H-indol-3-amine
PubChem CID175446361
Molecular FormulaC11H8F2N2
Molecular Weight206.19 g/mol
Exact Mass206.07
IUPAC Name5,6-difluoro-N-prop-1-ynyl-1H-indol-3-amine
SMILESCC#CNc1c[nH]c2cc(F)c(F)cc12
InChIInChI=1S/C11H8F2N2/c1-2-3-14-11-6-15-10-5-9(13)8(12)4-7(10)11/h4-6,14-15H,1H3
InChIKeyBLSQFZFCOLXUMS-UHFFFAOYSA-N
XLogP2.84
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5,6-difluoro-1H-indol-3-yl)octane-1-sulfinamide
CID 164554051
(5,6-difluoro-1H-indol-3-yl)azanium
CID 156720643
5,6-difluoro-3-(2-fluoroethyl)-1H-indole
CID 89153643
3,5-dichloro-N-(5,6-difluoro-1H-indol-3-yl)benzenesulfonamide
CID 155009388
N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide
CID 154652693
1-(5,6-difluoro-1H-indol-3-yl)prop-2-yn-1-one
CID 162444599
1-(3-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)methanesulfinamide
CID 154653155
2-[3-(ethylamino)-1H-indol-5-yl]acetonitrile
CID 159146438
N-(5,6-difluoro-1H-indol-3-yl)-2-(1-hydroxypropyl)pyridine-4-carboxamide
CID 162445208
N-cyclobutyl-N'-(5,6-difluoro-1H-indol-3-yl)oxamide
CID 156720645
5,6-difluoro-N-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-indol-3-amine
CID 154653148
N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide
CID 154652719

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-N-prop-1-ynyl-1H-indol-3-amine?
The IUPAC name of 5,6-difluoro-N-prop-1-ynyl-1H-indol-3-amine (CID 175446361) is 5,6-difluoro-N-prop-1-ynyl-1H-indol-3-amine.
What is the SMILES notation for 5,6-difluoro-N-prop-1-ynyl-1H-indol-3-amine?
The canonical SMILES for 5,6-difluoro-N-prop-1-ynyl-1H-indol-3-amine is CC#CNc1c[nH]c2cc(F)c(F)cc12.
What is the InChIKey of 5,6-difluoro-N-prop-1-ynyl-1H-indol-3-amine?
The InChIKey is BLSQFZFCOLXUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2/c1-2-3-14-11-6-15-10-5-9(13)8(12)4-7(10)11/h4-6,14-15H,1H3.
What are the key properties of 5,6-difluoro-N-prop-1-ynyl-1H-indol-3-amine?
5,6-difluoro-N-prop-1-ynyl-1H-indol-3-amine has a molecular weight of 206.19 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-N-prop-1-ynyl-1H-indol-3-amine is sourced from PubChem (CID 175446361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).