N-(6,6,6-trifluorohexan-2-yl)-1H-indol-5-amine

C14H17F3N2 — CID 116534107

IUPACN-(6,6,6-trifluorohexan-2-yl)-1H-indol-5-amine
SMILESCC(CCCC(F)(F)F)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H17F3N2/c1-10(3-2-7-14(15,16)17)19-12-4-5-13-11(9-12)6-8-18-13/h4-6,8-10,18-19H,2-3,7H2,1H3
InChIKeyUYSFPQKKDJSKIE-UHFFFAOYSA-N
MW270.30 g/mol
LogP4.70
Rot. Bonds5

About N-(6,6,6-trifluorohexan-2-yl)-1H-indol-5-amine

N-(6,6,6-trifluorohexan-2-yl)-1H-indol-5-amine (PubChem CID 116534107) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is N-(6,6,6-trifluorohexan-2-yl)-1H-indol-5-amine.

Molecular Properties

Compound NameN-(6,6,6-trifluorohexan-2-yl)-1H-indol-5-amine
PubChem CID116534107
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC NameN-(6,6,6-trifluorohexan-2-yl)-1H-indol-5-amine
SMILESCC(CCCC(F)(F)F)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H17F3N2/c1-10(3-2-7-14(15,16)17)19-12-4-5-13-11(9-12)6-8-18-13/h4-6,8-10,18-19H,2-3,7H2,1H3
InChIKeyUYSFPQKKDJSKIE-UHFFFAOYSA-N
XLogP4.70
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-octan-2-yl-1H-indol-5-amine
CID 43130007
3-fluoro-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534048
4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534060
4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534013
N-(6,6,6-trifluorohexan-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 116534020
4-methylsulfanyl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116533990
4-bromo-3-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534966
N-[1-(4-fluorophenyl)ethyl]-1H-indol-5-amine
CID 43204264
3-ethoxy-4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534427
N-(2-methylpropyl)-1H-indol-5-amine
CID 43204243
2-(1H-indol-5-ylamino)-2-methylpropan-1-ol
CID 82538440
N-(2-methyl-1-phenylpropyl)-1H-indol-5-amine
CID 43768692

Frequently Asked Questions

What is the IUPAC name of N-(6,6,6-trifluorohexan-2-yl)-1H-indol-5-amine?
The IUPAC name of N-(6,6,6-trifluorohexan-2-yl)-1H-indol-5-amine (CID 116534107) is N-(6,6,6-trifluorohexan-2-yl)-1H-indol-5-amine.
What is the SMILES notation for N-(6,6,6-trifluorohexan-2-yl)-1H-indol-5-amine?
The canonical SMILES for N-(6,6,6-trifluorohexan-2-yl)-1H-indol-5-amine is CC(CCCC(F)(F)F)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of N-(6,6,6-trifluorohexan-2-yl)-1H-indol-5-amine?
The InChIKey is UYSFPQKKDJSKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2/c1-10(3-2-7-14(15,16)17)19-12-4-5-13-11(9-12)6-8-18-13/h4-6,8-10,18-19H,2-3,7H2,1H3.
What are the key properties of N-(6,6,6-trifluorohexan-2-yl)-1H-indol-5-amine?
N-(6,6,6-trifluorohexan-2-yl)-1H-indol-5-amine has a molecular weight of 270.30 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6,6-trifluorohexan-2-yl)-1H-indol-5-amine is sourced from PubChem (CID 116534107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).