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

C12H13ClF3N — CID 81342804

IUPAC5-chloro-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-2-amine
SMILESFC(F)(F)CCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C12H13ClF3N/c13-10-2-1-8-6-11(7-9(8)5-10)17-4-3-12(14,15)16/h1-2,5,11,17H,3-4,6-7H2
InChIKeyWVECXQWHDGJXQJ-UHFFFAOYSA-N
MW263.69 g/mol
LogP3.35
Rot. Bonds3

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

5-chloro-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 81342804) has the molecular formula C12H13ClF3N and a molecular weight of 263.69 g/mol. Its IUPAC name is 5-chloro-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID81342804
Molecular FormulaC12H13ClF3N
Molecular Weight263.69 g/mol
Exact Mass263.07
IUPAC Name5-chloro-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-2-amine
SMILESFC(F)(F)CCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C12H13ClF3N/c13-10-2-1-8-6-11(7-9(8)5-10)17-4-3-12(14,15)16/h1-2,5,11,17H,3-4,6-7H2
InChIKeyWVECXQWHDGJXQJ-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-2-amine (CID 81342804) is 5-chloro-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-2-amine is FC(F)(F)CCNC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is WVECXQWHDGJXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N/c13-10-2-1-8-6-11(7-9(8)5-10)17-4-3-12(14,15)16/h1-2,5,11,17H,3-4,6-7H2.
What are the key properties of 5-chloro-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 263.69 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 81342804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).