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

C10H20F3NO — CID 116757656

IUPAC1,1,1-trifluoro-5-methoxy-N,5-dimethylheptan-4-amine
SMILESCCC(C)(OC)C(CCC(F)(F)F)NC
InChIInChI=1S/C10H20F3NO/c1-5-9(2,15-4)8(14-3)6-7-10(11,12)13/h8,14H,5-7H2,1-4H3
InChIKeyGEUIYHRFHLBYBN-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds6

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

1,1,1-trifluoro-5-methoxy-N,5-dimethylheptan-4-amine (PubChem CID 116757656) 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,5-dimethylheptan-4-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methoxy-N,5-dimethylheptan-4-amine
PubChem CID116757656
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name1,1,1-trifluoro-5-methoxy-N,5-dimethylheptan-4-amine
SMILESCCC(C)(OC)C(CCC(F)(F)F)NC
InChIInChI=1S/C10H20F3NO/c1-5-9(2,15-4)8(14-3)6-7-10(11,12)13/h8,14H,5-7H2,1-4H3
InChIKeyGEUIYHRFHLBYBN-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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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-methoxy-N,5-dimethylheptan-4-amine?
The IUPAC name of 1,1,1-trifluoro-5-methoxy-N,5-dimethylheptan-4-amine (CID 116757656) is 1,1,1-trifluoro-5-methoxy-N,5-dimethylheptan-4-amine.
What is the SMILES notation for 1,1,1-trifluoro-5-methoxy-N,5-dimethylheptan-4-amine?
The canonical SMILES for 1,1,1-trifluoro-5-methoxy-N,5-dimethylheptan-4-amine is CCC(C)(OC)C(CCC(F)(F)F)NC.
What is the InChIKey of 1,1,1-trifluoro-5-methoxy-N,5-dimethylheptan-4-amine?
The InChIKey is GEUIYHRFHLBYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-5-9(2,15-4)8(14-3)6-7-10(11,12)13/h8,14H,5-7H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-5-methoxy-N,5-dimethylheptan-4-amine?
1,1,1-trifluoro-5-methoxy-N,5-dimethylheptan-4-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 1,1,1-trifluoro-5-methoxy-N,5-dimethylheptan-4-amine is sourced from PubChem (CID 116757656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).