1,1,1-trifluoro-5-methoxy-N,6-dimethylheptan-4-amine

C10H20F3NO — CID 116719984

IUPAC1,1,1-trifluoro-5-methoxy-N,6-dimethylheptan-4-amine
SMILESCNC(CCC(F)(F)F)C(OC)C(C)C
InChIInChI=1S/C10H20F3NO/c1-7(2)9(15-4)8(14-3)5-6-10(11,12)13/h7-9,14H,5-6H2,1-4H3
InChIKeyFQYFHJCUSAUNDC-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.59
Rot. Bonds6

About 1,1,1-trifluoro-5-methoxy-N,6-dimethylheptan-4-amine

1,1,1-trifluoro-5-methoxy-N,6-dimethylheptan-4-amine (PubChem CID 116719984) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-methoxy-N,6-dimethylheptan-4-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methoxy-N,6-dimethylheptan-4-amine
PubChem CID116719984
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name1,1,1-trifluoro-5-methoxy-N,6-dimethylheptan-4-amine
SMILESCNC(CCC(F)(F)F)C(OC)C(C)C
InChIInChI=1S/C10H20F3NO/c1-7(2)9(15-4)8(14-3)5-6-10(11,12)13/h7-9,14H,5-6H2,1-4H3
InChIKeyFQYFHJCUSAUNDC-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine
CID 176833257
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 54962012
N-ethyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61755094
N-propyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61757100
N-methyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61757312
2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598118
2-(4-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598827
2,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-4-amine
CID 63827999
5-(2-Methylpropyl)-2-(trifluoromethyl)morpholine
CID 63901306
2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 64102732
2-ethoxy-6,6,6-trifluoro-N-methylhexan-3-amine
CID 64566407
2-ethoxy-N-ethyl-6,6,6-trifluorohexan-3-amine
CID 64566408

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-methoxy-N,6-dimethylheptan-4-amine?
The IUPAC name of 1,1,1-trifluoro-5-methoxy-N,6-dimethylheptan-4-amine (CID 116719984) is 1,1,1-trifluoro-5-methoxy-N,6-dimethylheptan-4-amine.
What is the SMILES notation for 1,1,1-trifluoro-5-methoxy-N,6-dimethylheptan-4-amine?
The canonical SMILES for 1,1,1-trifluoro-5-methoxy-N,6-dimethylheptan-4-amine is CNC(CCC(F)(F)F)C(OC)C(C)C.
What is the InChIKey of 1,1,1-trifluoro-5-methoxy-N,6-dimethylheptan-4-amine?
The InChIKey is FQYFHJCUSAUNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-7(2)9(15-4)8(14-3)5-6-10(11,12)13/h7-9,14H,5-6H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-5-methoxy-N,6-dimethylheptan-4-amine?
1,1,1-trifluoro-5-methoxy-N,6-dimethylheptan-4-amine has a molecular weight of 227.27 g/mol, XLogP of 2.59, 6 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,6-dimethylheptan-4-amine is sourced from PubChem (CID 116719984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).