5-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine

C13H15ClF3N — CID 81343383

IUPAC5-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine
SMILESFC(F)(F)CCCNC1CCc2cc(Cl)ccc21
InChIInChI=1S/C13H15ClF3N/c14-10-3-4-11-9(8-10)2-5-12(11)18-7-1-6-13(15,16)17/h3-4,8,12,18H,1-2,5-7H2
InChIKeyYDEODEQEUSIYCL-UHFFFAOYSA-N
MW277.72 g/mol
LogP4.26
Rot. Bonds4

About 5-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine

5-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 81343383) has the molecular formula C13H15ClF3N and a molecular weight of 277.72 g/mol. Its IUPAC name is 5-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID81343383
Molecular FormulaC13H15ClF3N
Molecular Weight277.72 g/mol
Exact Mass277.08
IUPAC Name5-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine
SMILESFC(F)(F)CCCNC1CCc2cc(Cl)ccc21
InChIInChI=1S/C13H15ClF3N/c14-10-3-4-11-9(8-10)2-5-12(11)18-7-1-6-13(15,16)17/h3-4,8,12,18H,1-2,5-7H2
InChIKeyYDEODEQEUSIYCL-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride
CID 139930761
5-chloro-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81339239
1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682163
5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115720823
1-[2-(trifluoromethylsulfanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 114187434
4-fluoro-N-(5,5,5-trifluoropentyl)-2,3-dihydro-1H-inden-1-amine
CID 115496239
5-chloro-N-[3-(furan-2-ylmethoxy)propyl]-2,3-dihydro-1H-inden-1-amine
CID 81296849
(2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
CID 97357898
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 81300774
3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 81321990
5-chloro-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 106415747
6-chloro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383375

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine (CID 81343383) is 5-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine is FC(F)(F)CCCNC1CCc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YDEODEQEUSIYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N/c14-10-3-4-11-9(8-10)2-5-12(11)18-7-1-6-13(15,16)17/h3-4,8,12,18H,1-2,5-7H2.
What are the key properties of 5-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine?
5-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 277.72 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81343383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).