4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline

C15H22F3N — CID 116534013

IUPAC4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline
SMILESCC(CCCC(F)(F)F)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C15H22F3N/c1-11(2)13-6-8-14(9-7-13)19-12(3)5-4-10-15(16,17)18/h6-9,11-12,19H,4-5,10H2,1-3H3
InChIKeyXFNNWNYNOILRTB-UHFFFAOYSA-N
MW273.34 g/mol
LogP5.34
Rot. Bonds6

About 4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline

4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline (PubChem CID 116534013) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline.

Molecular Properties

Compound Name4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline
PubChem CID116534013
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline
SMILESCC(CCCC(F)(F)F)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C15H22F3N/c1-11(2)13-6-8-14(9-7-13)19-12(3)5-4-10-15(16,17)18/h6-9,11-12,19H,4-5,10H2,1-3H3
InChIKeyXFNNWNYNOILRTB-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.34
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534060
4-methylsulfanyl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116533990
N-hexan-2-yl-4-propan-2-ylaniline
CID 43760569
3-fluoro-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534048
N-(6,6,6-trifluorohexan-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 116534020
4-(1,2,4-triazol-1-yl)-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534569
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
2-N,2-N-diethyl-5-N-(6,6,6-trifluorohexan-2-yl)pyridine-2,5-diamine
CID 116534337
3-ethoxy-4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534427
6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine
CID 116534570
2-N-(4-propan-2-ylphenyl)propane-1,2-diamine
CID 103387154

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline?
The IUPAC name of 4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline (CID 116534013) is 4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline.
What is the SMILES notation for 4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline?
The canonical SMILES for 4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline is CC(CCCC(F)(F)F)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline?
The InChIKey is XFNNWNYNOILRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-11(2)13-6-8-14(9-7-13)19-12(3)5-4-10-15(16,17)18/h6-9,11-12,19H,4-5,10H2,1-3H3.
What are the key properties of 4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline?
4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline has a molecular weight of 273.34 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline is sourced from PubChem (CID 116534013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).