1,1,1-trifluoro-5-methoxy-N,5-dimethylhexan-2-amine

C9H18F3NO — CID 103032277

IUPAC1,1,1-trifluoro-5-methoxy-N,5-dimethylhexan-2-amine
SMILESCNC(CCC(C)(C)OC)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-8(2,14-4)6-5-7(13-3)9(10,11)12/h7,13H,5-6H2,1-4H3
InChIKeyJGUWTENBVVNIAK-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.34
Rot. Bonds5

About 1,1,1-trifluoro-5-methoxy-N,5-dimethylhexan-2-amine

1,1,1-trifluoro-5-methoxy-N,5-dimethylhexan-2-amine (PubChem CID 103032277) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-methoxy-N,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methoxy-N,5-dimethylhexan-2-amine
PubChem CID103032277
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name1,1,1-trifluoro-5-methoxy-N,5-dimethylhexan-2-amine
SMILESCNC(CCC(C)(C)OC)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-8(2,14-4)6-5-7(13-3)9(10,11)12/h7,13H,5-6H2,1-4H3
InChIKeyJGUWTENBVVNIAK-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 43146950
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
6,6,6-trifluoro-2-methoxy-N,2-dimethylhexan-3-amine
CID 79197558
6,6,6-trifluoro-2-methoxy-2-methyl-N-propylhexan-3-amine
CID 79197939
N-ethyl-6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine
CID 79198505
4-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine
CID 81343377
1,1,1-trifluoro-6-methoxy-N,6-dimethylheptan-4-amine
CID 103027353
N-ethyl-1,1,1-trifluoro-6-methoxy-6-methylheptan-4-amine
CID 103027355
8,8,8-trifluoro-2-methoxy-N,2-dimethyloctan-4-amine
CID 103028745
N-ethyl-1,1,1-trifluoro-6-methoxy-6-methylheptan-3-amine
CID 103031103
1,1,1-Trifluoro-5-methoxy-5-methylhexan-2-amine
CID 103031627
1,1,1-trifluoro-7-methoxy-7-methyl-N-propyloctan-4-amine
CID 103031726

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-methoxy-N,5-dimethylhexan-2-amine?
The IUPAC name of 1,1,1-trifluoro-5-methoxy-N,5-dimethylhexan-2-amine (CID 103032277) is 1,1,1-trifluoro-5-methoxy-N,5-dimethylhexan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-5-methoxy-N,5-dimethylhexan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-5-methoxy-N,5-dimethylhexan-2-amine is CNC(CCC(C)(C)OC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-methoxy-N,5-dimethylhexan-2-amine?
The InChIKey is JGUWTENBVVNIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-8(2,14-4)6-5-7(13-3)9(10,11)12/h7,13H,5-6H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-5-methoxy-N,5-dimethylhexan-2-amine?
1,1,1-trifluoro-5-methoxy-N,5-dimethylhexan-2-amine has a molecular weight of 213.24 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-methoxy-N,5-dimethylhexan-2-amine is sourced from PubChem (CID 103032277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).