N-(6,6,6-trifluorohexan-2-yl)-2,3-dihydro-1H-inden-5-amine

C15H20F3N — CID 116534020

IUPACN-(6,6,6-trifluorohexan-2-yl)-2,3-dihydro-1H-inden-5-amine
SMILESCC(CCCC(F)(F)F)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H20F3N/c1-11(4-3-9-15(16,17)18)19-14-8-7-12-5-2-6-13(12)10-14/h7-8,10-11,19H,2-6,9H2,1H3
InChIKeyFJJSEMRHMMIDDP-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.71
Rot. Bonds5

About N-(6,6,6-trifluorohexan-2-yl)-2,3-dihydro-1H-inden-5-amine

N-(6,6,6-trifluorohexan-2-yl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 116534020) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is N-(6,6,6-trifluorohexan-2-yl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-(6,6,6-trifluorohexan-2-yl)-2,3-dihydro-1H-inden-5-amine
PubChem CID116534020
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-(6,6,6-trifluorohexan-2-yl)-2,3-dihydro-1H-inden-5-amine
SMILESCC(CCCC(F)(F)F)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H20F3N/c1-11(4-3-9-15(16,17)18)19-14-8-7-12-5-2-6-13(12)10-14/h7-8,10-11,19H,2-6,9H2,1H3
InChIKeyFJJSEMRHMMIDDP-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534048
4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534013
N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine
CID 64554180
4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534060
N-(6,6,6-trifluorohexan-2-yl)-1H-indol-5-amine
CID 116534107
4-bromo-3-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534966
N-(1-cyclobutylpropan-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 113489689
3-ethoxy-4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534427
N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine
CID 114209369
1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine
CID 115205117
2-N,2-N-diethyl-5-N-(6,6,6-trifluorohexan-2-yl)pyridine-2,5-diamine
CID 116534337
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylamino)pentan-1-ol
CID 115976213

Frequently Asked Questions

What is the IUPAC name of N-(6,6,6-trifluorohexan-2-yl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-(6,6,6-trifluorohexan-2-yl)-2,3-dihydro-1H-inden-5-amine (CID 116534020) is N-(6,6,6-trifluorohexan-2-yl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-(6,6,6-trifluorohexan-2-yl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-(6,6,6-trifluorohexan-2-yl)-2,3-dihydro-1H-inden-5-amine is CC(CCCC(F)(F)F)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(6,6,6-trifluorohexan-2-yl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is FJJSEMRHMMIDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-11(4-3-9-15(16,17)18)19-14-8-7-12-5-2-6-13(12)10-14/h7-8,10-11,19H,2-6,9H2,1H3.
What are the key properties of N-(6,6,6-trifluorohexan-2-yl)-2,3-dihydro-1H-inden-5-amine?
N-(6,6,6-trifluorohexan-2-yl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 271.33 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6,6-trifluorohexan-2-yl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 116534020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).