6-chloro-N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

C13H16ClF2N — CID 83065790

IUPAC6-chloro-N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCC(F)F
InChIInChI=1S/C13H16ClF2N/c1-13(2)6-8-3-4-9(14)5-10(8)12(13)17-7-11(15)16/h3-5,11-12,17H,6-7H2,1-2H3
InChIKeyKRWLFGWIDGMBAF-UHFFFAOYSA-N
MW259.73 g/mol
LogP3.82
Rot. Bonds3

About 6-chloro-N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

6-chloro-N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 83065790) has the molecular formula C13H16ClF2N and a molecular weight of 259.73 g/mol. Its IUPAC name is 6-chloro-N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID83065790
Molecular FormulaC13H16ClF2N
Molecular Weight259.73 g/mol
Exact Mass259.09
IUPAC Name6-chloro-N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCC(F)F
InChIInChI=1S/C13H16ClF2N/c1-13(2)6-8-3-4-9(14)5-10(8)12(13)17-7-11(15)16/h3-5,11-12,17H,6-7H2,1-2H3
InChIKeyKRWLFGWIDGMBAF-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 83065790) is 6-chloro-N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is CC1(C)Cc2ccc(Cl)cc2C1NCC(F)F.
What is the InChIKey of 6-chloro-N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is KRWLFGWIDGMBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2N/c1-13(2)6-8-3-4-9(14)5-10(8)12(13)17-7-11(15)16/h3-5,11-12,17H,6-7H2,1-2H3.
What are the key properties of 6-chloro-N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
6-chloro-N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 259.73 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 83065790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).