2-(difluoromethyl)-7-fluoro-2,3-dihydro-1H-indole

C9H8F3N — CID 84660863

IUPAC2-(difluoromethyl)-7-fluoro-2,3-dihydro-1H-indole
SMILESFc1cccc2c1NC(C(F)F)C2
InChIInChI=1S/C9H8F3N/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-3,7,9,13H,4H2
InChIKeyHRLFWYNPASOINM-UHFFFAOYSA-N
MW187.16 g/mol
LogP2.43
Rot. Bonds1

About 2-(difluoromethyl)-7-fluoro-2,3-dihydro-1H-indole

2-(difluoromethyl)-7-fluoro-2,3-dihydro-1H-indole (PubChem CID 84660863) has the molecular formula C9H8F3N and a molecular weight of 187.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-7-fluoro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(difluoromethyl)-7-fluoro-2,3-dihydro-1H-indole
PubChem CID84660863
Molecular FormulaC9H8F3N
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC Name2-(difluoromethyl)-7-fluoro-2,3-dihydro-1H-indole
SMILESFc1cccc2c1NC(C(F)F)C2
InChIInChI=1S/C9H8F3N/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-3,7,9,13H,4H2
InChIKeyHRLFWYNPASOINM-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-2-(difluoromethyl)-2,3-dihydro-1H-indole
CID 84706369
3-amino-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 84618485
[(3S)-8-fluoro-1,2,3,4-tetrahydroquinolin-3-yl]methanol
CID 42333638
9-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid
CID 82395177
2-(5-ethylthiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole
CID 3433368
8-fluoro-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 130526503
8-fluoro-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 105447942
(3R)-8-fluoro-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 96622835
(3R)-3-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 51777322
8-fluoro-3-piperidin-4-yl-2,4-dihydro-1H-quinazolin-2-ol
CID 174548668
ethane;7-fluoro-2,3-dihydro-1H-indole
CID 171527172
2-amino-1-(7-ethyl-2,3-dihydro-1H-indol-2-yl)ethanol
CID 83860690

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-7-fluoro-2,3-dihydro-1H-indole?
The IUPAC name of 2-(difluoromethyl)-7-fluoro-2,3-dihydro-1H-indole (CID 84660863) is 2-(difluoromethyl)-7-fluoro-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(difluoromethyl)-7-fluoro-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(difluoromethyl)-7-fluoro-2,3-dihydro-1H-indole is Fc1cccc2c1NC(C(F)F)C2.
What is the InChIKey of 2-(difluoromethyl)-7-fluoro-2,3-dihydro-1H-indole?
The InChIKey is HRLFWYNPASOINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-3,7,9,13H,4H2.
What are the key properties of 2-(difluoromethyl)-7-fluoro-2,3-dihydro-1H-indole?
2-(difluoromethyl)-7-fluoro-2,3-dihydro-1H-indole has a molecular weight of 187.16 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-7-fluoro-2,3-dihydro-1H-indole is sourced from PubChem (CID 84660863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).