N-(2,2-difluoroethyl)-2,3-dihydro-1H-inden-5-amine

C11H13F2N — CID 60921757

IUPACN-(2,2-difluoroethyl)-2,3-dihydro-1H-inden-5-amine
SMILESFC(F)CNc1ccc2c(c1)CCC2
InChIInChI=1S/C11H13F2N/c12-11(13)7-14-10-5-4-8-2-1-3-9(8)6-10/h4-6,11,14H,1-3,7H2
InChIKeyZNHLIZBZUQRBMS-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.85
Rot. Bonds3

About N-(2,2-difluoroethyl)-2,3-dihydro-1H-inden-5-amine

N-(2,2-difluoroethyl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 60921757) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2,3-dihydro-1H-inden-5-amine
PubChem CID60921757
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC NameN-(2,2-difluoroethyl)-2,3-dihydro-1H-inden-5-amine
SMILESFC(F)CNc1ccc2c(c1)CCC2
InChIInChI=1S/C11H13F2N/c12-11(13)7-14-10-5-4-8-2-1-3-9(8)6-10/h4-6,11,14H,1-3,7H2
InChIKeyZNHLIZBZUQRBMS-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-(2,2-difluoroethyl)-2,3-dihydro-1H-inden-5-amine (CID 60921757) is N-(2,2-difluoroethyl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-2,3-dihydro-1H-inden-5-amine is FC(F)CNc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,2-difluoroethyl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is ZNHLIZBZUQRBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c12-11(13)7-14-10-5-4-8-2-1-3-9(8)6-10/h4-6,11,14H,1-3,7H2.
What are the key properties of N-(2,2-difluoroethyl)-2,3-dihydro-1H-inden-5-amine?
N-(2,2-difluoroethyl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 197.23 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 60921757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).