5-chloro-N-[1-(trifluoromethyl)cyclopropyl]-2,3-dihydro-1H-inden-2-amine

C13H13ClF3N — CID 106210178

IUPAC5-chloro-N-[1-(trifluoromethyl)cyclopropyl]-2,3-dihydro-1H-inden-2-amine
SMILESFC(F)(F)C1(NC2Cc3ccc(Cl)cc3C2)CC1
InChIInChI=1S/C13H13ClF3N/c14-10-2-1-8-6-11(7-9(8)5-10)18-12(3-4-12)13(15,16)17/h1-2,5,11,18H,3-4,6-7H2
InChIKeySZIXNUHHEZVLSR-UHFFFAOYSA-N
MW275.70 g/mol
LogP3.49
Rot. Bonds2

About 5-chloro-N-[1-(trifluoromethyl)cyclopropyl]-2,3-dihydro-1H-inden-2-amine

5-chloro-N-[1-(trifluoromethyl)cyclopropyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 106210178) has the molecular formula C13H13ClF3N and a molecular weight of 275.70 g/mol. Its IUPAC name is 5-chloro-N-[1-(trifluoromethyl)cyclopropyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(trifluoromethyl)cyclopropyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID106210178
Molecular FormulaC13H13ClF3N
Molecular Weight275.70 g/mol
Exact Mass275.07
IUPAC Name5-chloro-N-[1-(trifluoromethyl)cyclopropyl]-2,3-dihydro-1H-inden-2-amine
SMILESFC(F)(F)C1(NC2Cc3ccc(Cl)cc3C2)CC1
InChIInChI=1S/C13H13ClF3N/c14-10-2-1-8-6-11(7-9(8)5-10)18-12(3-4-12)13(15,16)17/h1-2,5,11,18H,3-4,6-7H2
InChIKeySZIXNUHHEZVLSR-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(trifluoromethyl)cyclopropyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-[1-(trifluoromethyl)cyclopropyl]-2,3-dihydro-1H-inden-2-amine (CID 106210178) is 5-chloro-N-[1-(trifluoromethyl)cyclopropyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-[1-(trifluoromethyl)cyclopropyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-[1-(trifluoromethyl)cyclopropyl]-2,3-dihydro-1H-inden-2-amine is FC(F)(F)C1(NC2Cc3ccc(Cl)cc3C2)CC1.
What is the InChIKey of 5-chloro-N-[1-(trifluoromethyl)cyclopropyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is SZIXNUHHEZVLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N/c14-10-2-1-8-6-11(7-9(8)5-10)18-12(3-4-12)13(15,16)17/h1-2,5,11,18H,3-4,6-7H2.
What are the key properties of 5-chloro-N-[1-(trifluoromethyl)cyclopropyl]-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-[1-(trifluoromethyl)cyclopropyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 275.70 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(trifluoromethyl)cyclopropyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 106210178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).