7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine

C10H20F3NO — CID 115517311

IUPAC7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine
SMILESCNC(CCCC(F)(F)F)C(C)(C)OC
InChIInChI=1S/C10H20F3NO/c1-9(2,15-4)8(14-3)6-5-7-10(11,12)13/h8,14H,5-7H2,1-4H3
InChIKeyVYSMXKCOULKYII-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds6

About 7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine

7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine (PubChem CID 115517311) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine.

Molecular Properties

Compound Name7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine
PubChem CID115517311
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine
SMILESCNC(CCCC(F)(F)F)C(C)(C)OC
InChIInChI=1S/C10H20F3NO/c1-9(2,15-4)8(14-3)6-5-7-10(11,12)13/h8,14H,5-7H2,1-4H3
InChIKeyVYSMXKCOULKYII-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

7,7,7-trifluoro-2-methoxy-2-methyl-N-propylheptan-3-amine
CID 113327134
2-methoxy-N,2-dimethyloctan-3-amine
CID 79198599
2-ethoxy-6,6,6-trifluoro-N,2-dimethylhexan-3-amine
CID 116726522
3-N,3-N-diethyl-8,8,8-trifluoro-4-N,3-dimethyloctane-3,4-diamine
CID 115517197
2-[butyl-[4-methoxy-4-methyl-3-(methylamino)pentyl]amino]ethanol
CID 114229098
1,1,1,6,6,6-hexafluorohexan-2-ylhydrazine
CID 105215662
8,8,8-trifluoro-1-methoxy-N,2-dimethyloctan-4-amine
CID 105174487
methyl (2R)-2-amino-6,6,6-trifluorohexanoate
CID 122585346
(7,7,7-trifluoro-2-methyl-2-methylsulfonylheptan-3-yl)hydrazine
CID 105329070
6,6,6-trifluoro-2-methoxycarbonylhexanoic acid
CID 103973338
1,1,1-trifluoro-N,6-dimethylheptan-2-amine
CID 105029014
4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine
CID 115513588

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine?
The IUPAC name of 7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine (CID 115517311) is 7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine.
What is the SMILES notation for 7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine?
The canonical SMILES for 7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine is CNC(CCCC(F)(F)F)C(C)(C)OC.
What is the InChIKey of 7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine?
The InChIKey is VYSMXKCOULKYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-9(2,15-4)8(14-3)6-5-7-10(11,12)13/h8,14H,5-7H2,1-4H3.
What are the key properties of 7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine?
7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine has a molecular weight of 227.27 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine is sourced from PubChem (CID 115517311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).