N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-indene-2-carboxamide

C13H14F3NO — CID 112527808

IUPACN-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(NCCC(F)(F)F)C1Cc2ccccc2C1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)5-6-17-12(18)11-7-9-3-1-2-4-10(9)8-11/h1-4,11H,5-8H2,(H,17,18)
InChIKeyMGVFDEJWOWPJTM-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.47
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-indene-2-carboxamide

N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 112527808) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID112527808
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC NameN-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(NCCC(F)(F)F)C1Cc2ccccc2C1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)5-6-17-12(18)11-7-9-3-1-2-4-10(9)8-11/h1-4,11H,5-8H2,(H,17,18)
InChIKeyMGVFDEJWOWPJTM-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 55174369
(3S)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 95034741
N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 115519993
N-(5-amino-5-sulfanylidenepentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106892938
N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155137344
4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid
CID 107832373
(2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid
CID 107834568
N-(3-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894268
N-[(2-hydroxyphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106703935
N-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112520153
N-(5-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703980
1-(3,3,3-trifluoropropylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 63227411

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 112527808) is N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-indene-2-carboxamide is O=C(NCCC(F)(F)F)C1Cc2ccccc2C1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is MGVFDEJWOWPJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)5-6-17-12(18)11-7-9-3-1-2-4-10(9)8-11/h1-4,11H,5-8H2,(H,17,18).
What are the key properties of N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 257.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 112527808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).