2,2,5-trifluoro-7-methyl-1,3-dihydroinden-1-amine

C10H10F3N — CID 91619096

IUPAC2,2,5-trifluoro-7-methyl-1,3-dihydroinden-1-amine
SMILESCc1cc(F)cc2c1C(N)C(F)(F)C2
InChIInChI=1S/C10H10F3N/c1-5-2-7(11)3-6-4-10(12,13)9(14)8(5)6/h2-3,9H,4,14H2,1H3
InChIKeySNYNLFVNEGBTPL-UHFFFAOYSA-N
MW201.19 g/mol
LogP2.33
Rot. Bonds

About 2,2,5-trifluoro-7-methyl-1,3-dihydroinden-1-amine

2,2,5-trifluoro-7-methyl-1,3-dihydroinden-1-amine (PubChem CID 91619096) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is 2,2,5-trifluoro-7-methyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name2,2,5-trifluoro-7-methyl-1,3-dihydroinden-1-amine
PubChem CID91619096
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name2,2,5-trifluoro-7-methyl-1,3-dihydroinden-1-amine
SMILESCc1cc(F)cc2c1C(N)C(F)(F)C2
InChIInChI=1S/C10H10F3N/c1-5-2-7(11)3-6-4-10(12,13)9(14)8(5)6/h2-3,9H,4,14H2,1H3
InChIKeySNYNLFVNEGBTPL-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trifluoro-7-methyl-1,3-dihydroinden-1-amine?
The IUPAC name of 2,2,5-trifluoro-7-methyl-1,3-dihydroinden-1-amine (CID 91619096) is 2,2,5-trifluoro-7-methyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for 2,2,5-trifluoro-7-methyl-1,3-dihydroinden-1-amine?
The canonical SMILES for 2,2,5-trifluoro-7-methyl-1,3-dihydroinden-1-amine is Cc1cc(F)cc2c1C(N)C(F)(F)C2.
What is the InChIKey of 2,2,5-trifluoro-7-methyl-1,3-dihydroinden-1-amine?
The InChIKey is SNYNLFVNEGBTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N/c1-5-2-7(11)3-6-4-10(12,13)9(14)8(5)6/h2-3,9H,4,14H2,1H3.
What are the key properties of 2,2,5-trifluoro-7-methyl-1,3-dihydroinden-1-amine?
2,2,5-trifluoro-7-methyl-1,3-dihydroinden-1-amine has a molecular weight of 201.19 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trifluoro-7-methyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 91619096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).