N-cyclopenta-2,4-dien-1-yl-4-(trifluoromethyl)-3a,4-dihydro-1H-inden-1-amine

C15H14F3N — CID 163825656

IUPACN-cyclopenta-2,4-dien-1-yl-4-(trifluoromethyl)-3a,4-dihydro-1H-inden-1-amine
SMILESFC(F)(F)C1C=CC=C2C(NC3C=CC=C3)C=CC21
InChIInChI=1S/C15H14F3N/c16-15(17,18)13-7-3-6-12-11(13)8-9-14(12)19-10-4-1-2-5-10/h1-11,13-14,19H
InChIKeyNZFVBTWWQMXJMP-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.30
Rot. Bonds2

About N-cyclopenta-2,4-dien-1-yl-4-(trifluoromethyl)-3a,4-dihydro-1H-inden-1-amine

N-cyclopenta-2,4-dien-1-yl-4-(trifluoromethyl)-3a,4-dihydro-1H-inden-1-amine (PubChem CID 163825656) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is N-cyclopenta-2,4-dien-1-yl-4-(trifluoromethyl)-3a,4-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-cyclopenta-2,4-dien-1-yl-4-(trifluoromethyl)-3a,4-dihydro-1H-inden-1-amine
PubChem CID163825656
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC NameN-cyclopenta-2,4-dien-1-yl-4-(trifluoromethyl)-3a,4-dihydro-1H-inden-1-amine
SMILESFC(F)(F)C1C=CC=C2C(NC3C=CC=C3)C=CC21
InChIInChI=1S/C15H14F3N/c16-15(17,18)13-7-3-6-12-11(13)8-9-14(12)19-10-4-1-2-5-10/h1-11,13-14,19H
InChIKeyNZFVBTWWQMXJMP-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopenta-2,4-dien-1-yl-4-(trifluoromethyl)-3a,4-dihydro-1H-inden-1-amine?
The IUPAC name of N-cyclopenta-2,4-dien-1-yl-4-(trifluoromethyl)-3a,4-dihydro-1H-inden-1-amine (CID 163825656) is N-cyclopenta-2,4-dien-1-yl-4-(trifluoromethyl)-3a,4-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-cyclopenta-2,4-dien-1-yl-4-(trifluoromethyl)-3a,4-dihydro-1H-inden-1-amine?
The canonical SMILES for N-cyclopenta-2,4-dien-1-yl-4-(trifluoromethyl)-3a,4-dihydro-1H-inden-1-amine is FC(F)(F)C1C=CC=C2C(NC3C=CC=C3)C=CC21.
What is the InChIKey of N-cyclopenta-2,4-dien-1-yl-4-(trifluoromethyl)-3a,4-dihydro-1H-inden-1-amine?
The InChIKey is NZFVBTWWQMXJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c16-15(17,18)13-7-3-6-12-11(13)8-9-14(12)19-10-4-1-2-5-10/h1-11,13-14,19H.
What are the key properties of N-cyclopenta-2,4-dien-1-yl-4-(trifluoromethyl)-3a,4-dihydro-1H-inden-1-amine?
N-cyclopenta-2,4-dien-1-yl-4-(trifluoromethyl)-3a,4-dihydro-1H-inden-1-amine has a molecular weight of 265.28 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopenta-2,4-dien-1-yl-4-(trifluoromethyl)-3a,4-dihydro-1H-inden-1-amine is sourced from PubChem (CID 163825656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).