1-(2,3-dihydro-1H-inden-5-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine

C13H15F4N — CID 79659812

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine
SMILESCNC(c1ccc2c(c1)CCC2)C(F)(F)C(F)F
InChIInChI=1S/C13H15F4N/c1-18-11(13(16,17)12(14)15)10-6-5-8-3-2-4-9(8)7-10/h5-7,11-12,18H,2-4H2,1H3
InChIKeyUIUUUJXHZDAKAX-UHFFFAOYSA-N
MW261.26 g/mol
LogP3.34
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine

1-(2,3-dihydro-1H-inden-5-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine (PubChem CID 79659812) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine
PubChem CID79659812
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine
SMILESCNC(c1ccc2c(c1)CCC2)C(F)(F)C(F)F
InChIInChI=1S/C13H15F4N/c1-18-11(13(16,17)12(14)15)10-6-5-8-3-2-4-9(8)7-10/h5-7,11-12,18H,2-4H2,1H3
InChIKeyUIUUUJXHZDAKAX-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3-tetrafluoro-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 79644292
5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 79660978
1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 116961881
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302367
N-[2,2,2-trifluoro-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propan-1-amine
CID 43494261
5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene
CID 164603454
1-(3,4-dihydro-2H-thiochromen-6-yl)-2,2,2-trifluoro-N-methylethanamine
CID 116961411
1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylpentan-1-amine
CID 43485099
1-(2,4-difluoro-5-methylphenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 79725625
1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine
CID 116949561
1-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496762

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine (CID 79659812) is 1-(2,3-dihydro-1H-inden-5-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine is CNC(c1ccc2c(c1)CCC2)C(F)(F)C(F)F.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine?
The InChIKey is UIUUUJXHZDAKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N/c1-18-11(13(16,17)12(14)15)10-6-5-8-3-2-4-9(8)7-10/h5-7,11-12,18H,2-4H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine?
1-(2,3-dihydro-1H-inden-5-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine has a molecular weight of 261.26 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine is sourced from PubChem (CID 79659812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).