2-(difluoromethyl)-N-propyl-1,3-dihydroinden-2-amine

C13H17F2N — CID 80604950

IUPAC2-(difluoromethyl)-N-propyl-1,3-dihydroinden-2-amine
SMILESCCCNC1(C(F)F)Cc2ccccc2C1
InChIInChI=1S/C13H17F2N/c1-2-7-16-13(12(14)15)8-10-5-3-4-6-11(10)9-13/h3-6,12,16H,2,7-9H2,1H3
InChIKeyOFFXTZPQNCPNME-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.79
Rot. Bonds4

About 2-(difluoromethyl)-N-propyl-1,3-dihydroinden-2-amine

2-(difluoromethyl)-N-propyl-1,3-dihydroinden-2-amine (PubChem CID 80604950) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-propyl-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-N-propyl-1,3-dihydroinden-2-amine
PubChem CID80604950
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name2-(difluoromethyl)-N-propyl-1,3-dihydroinden-2-amine
SMILESCCCNC1(C(F)F)Cc2ccccc2C1
InChIInChI=1S/C13H17F2N/c1-2-7-16-13(12(14)15)8-10-5-3-4-6-11(10)9-13/h3-6,12,16H,2,7-9H2,1H3
InChIKeyOFFXTZPQNCPNME-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-propyl-1,3-dihydroinden-2-amine?
The IUPAC name of 2-(difluoromethyl)-N-propyl-1,3-dihydroinden-2-amine (CID 80604950) is 2-(difluoromethyl)-N-propyl-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-(difluoromethyl)-N-propyl-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-(difluoromethyl)-N-propyl-1,3-dihydroinden-2-amine is CCCNC1(C(F)F)Cc2ccccc2C1.
What is the InChIKey of 2-(difluoromethyl)-N-propyl-1,3-dihydroinden-2-amine?
The InChIKey is OFFXTZPQNCPNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-2-7-16-13(12(14)15)8-10-5-3-4-6-11(10)9-13/h3-6,12,16H,2,7-9H2,1H3.
What are the key properties of 2-(difluoromethyl)-N-propyl-1,3-dihydroinden-2-amine?
2-(difluoromethyl)-N-propyl-1,3-dihydroinden-2-amine has a molecular weight of 225.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-propyl-1,3-dihydroinden-2-amine is sourced from PubChem (CID 80604950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).