1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine

C10H12F2N2 — CID 60923081

IUPAC1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine
SMILESNc1ccc2c(c1)CCN2CC(F)F
InChIInChI=1S/C10H12F2N2/c11-10(12)6-14-4-3-7-5-8(13)1-2-9(7)14/h1-2,5,10H,3-4,6,13H2
InChIKeyVKDRJGSILQJQDH-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.90
Rot. Bonds2

About 1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine

1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine (PubChem CID 60923081) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine
PubChem CID60923081
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine
SMILESNc1ccc2c(c1)CCN2CC(F)F
InChIInChI=1S/C10H12F2N2/c11-10(12)6-14-4-3-7-5-8(13)1-2-9(7)14/h1-2,5,10H,3-4,6,13H2
InChIKeyVKDRJGSILQJQDH-UHFFFAOYSA-N
XLogP1.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-5-amine
CID 106264339
2-[1-[(5-amino-2,3-dihydroindol-1-yl)methyl]cyclopropyl]acetonitrile
CID 65497142
1-(5-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103205511
4-(5-amino-2,3-dihydroindol-1-yl)-N-methylbutanamide
CID 63892508
1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine
CID 114930465
3-(6-amino-2,3-dihydroindol-1-yl)propane-1,2-diol
CID 82849838
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydroindol-5-amine
CID 66417575
2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol
CID 59090152
1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindol-5-amine
CID 106864189
6-(6-amino-3,4-dihydro-2H-quinolin-1-yl)hexan-1-ol
CID 107704010
1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 16642565
1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-amine
CID 113326478

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine (CID 60923081) is 1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine is Nc1ccc2c(c1)CCN2CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine?
The InChIKey is VKDRJGSILQJQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c11-10(12)6-14-4-3-7-5-8(13)1-2-9(7)14/h1-2,5,10H,3-4,6,13H2.
What are the key properties of 1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine?
1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine has a molecular weight of 198.22 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine is sourced from PubChem (CID 60923081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).