1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide

C12H13F3N2O — CID 54893156

IUPAC1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide
SMILESNC(=O)C1(NCC(F)(F)F)CCc2ccccc21
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)7-17-11(10(16)18)6-5-8-3-1-2-4-9(8)11/h1-4,17H,5-7H2,(H2,16,18)
InChIKeyVWTPCHAGBNSLOB-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.47
Rot. Bonds3

About 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide

1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide (PubChem CID 54893156) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide
PubChem CID54893156
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide
SMILESNC(=O)C1(NCC(F)(F)F)CCc2ccccc21
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)7-17-11(10(16)18)6-5-8-3-1-2-4-9(8)11/h1-4,17H,5-7H2,(H2,16,18)
InChIKeyVWTPCHAGBNSLOB-UHFFFAOYSA-N
XLogP1.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate
CID 54892661
ethyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate
CID 60997641
1-(propylamino)-2,3-dihydroindene-1-carboxamide
CID 60796921
6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide
CID 79374237
1-(cyclopropylmethylamino)-2,3-dihydroindene-1-carboxamide
CID 60996783
7-methoxy-1-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 79230787
tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate
CID 91387270
benzyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate
CID 67850234
1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide
CID 61006539
ethyl 4-(2,2,2-trifluoroethylamino)-2,3-dihydrothiochromene-4-carboxylate
CID 60998110
1-anilino-2,3-dihydroindene-1-carboxylic acid
CID 12740130
[4-(2,2,2-trifluoroethylamino)-1,3-dihydroisochromen-4-yl]methanol
CID 107150102

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide (CID 54893156) is 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide is NC(=O)C1(NCC(F)(F)F)CCc2ccccc21.
What is the InChIKey of 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide?
The InChIKey is VWTPCHAGBNSLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)7-17-11(10(16)18)6-5-8-3-1-2-4-9(8)11/h1-4,17H,5-7H2,(H2,16,18).
What are the key properties of 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide?
1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide has a molecular weight of 258.24 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 54893156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).