6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine

C10H20F3NO — CID 102696096

IUPAC6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine
SMILESCOC(C)CNC(C)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-8(14-7-9(2)15-3)5-4-6-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyIMMQRSRHPHTTSP-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds7

About 6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine

6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine (PubChem CID 102696096) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine
PubChem CID102696096
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine
SMILESCOC(C)CNC(C)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-8(14-7-9(2)15-3)5-4-6-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyIMMQRSRHPHTTSP-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol
CID 116534815
6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol
CID 116534784
6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine
CID 116534627
2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine
CID 116534156
N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine
CID 82793136
6,6,6-trifluoro-N-hexylhexan-2-amine
CID 116534124
3-(4,4,4-trifluorobutylamino)butan-1-ol
CID 83177888
6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine
CID 116534805
N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine
CID 116533966
5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine
CID 116534085
6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine
CID 116534560

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine (CID 102696096) is 6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine is COC(C)CNC(C)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine?
The InChIKey is IMMQRSRHPHTTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-8(14-7-9(2)15-3)5-4-6-10(11,12)13/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine?
6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine has a molecular weight of 227.27 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine is sourced from PubChem (CID 102696096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).