1,1,1-trifluoro-6-methoxy-N,6-dimethyl-2-(trifluoromethyl)heptan-3-amine

C11H19F6NO — CID 103312401

IUPAC1,1,1-trifluoro-6-methoxy-N,6-dimethyl-2-(trifluoromethyl)heptan-3-amine
SMILESCNC(CCC(C)(C)OC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H19F6NO/c1-9(2,19-4)6-5-7(18-3)8(10(12,13)14)11(15,16)17/h7-8,18H,5-6H2,1-4H3
InChIKeyZXJFYPVCIRWXKA-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.52
Rot. Bonds6

About 1,1,1-trifluoro-6-methoxy-N,6-dimethyl-2-(trifluoromethyl)heptan-3-amine

1,1,1-trifluoro-6-methoxy-N,6-dimethyl-2-(trifluoromethyl)heptan-3-amine (PubChem CID 103312401) has the molecular formula C11H19F6NO and a molecular weight of 295.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-6-methoxy-N,6-dimethyl-2-(trifluoromethyl)heptan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-6-methoxy-N,6-dimethyl-2-(trifluoromethyl)heptan-3-amine
PubChem CID103312401
Molecular FormulaC11H19F6NO
Molecular Weight295.27 g/mol
Exact Mass295.14
IUPAC Name1,1,1-trifluoro-6-methoxy-N,6-dimethyl-2-(trifluoromethyl)heptan-3-amine
SMILESCNC(CCC(C)(C)OC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H19F6NO/c1-9(2,19-4)6-5-7(18-3)8(10(12,13)14)11(15,16)17/h7-8,18H,5-6H2,1-4H3
InChIKeyZXJFYPVCIRWXKA-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.52
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-6-methoxy-N,6-dimethyl-2-(trifluoromethyl)heptan-3-amine?
The IUPAC name of 1,1,1-trifluoro-6-methoxy-N,6-dimethyl-2-(trifluoromethyl)heptan-3-amine (CID 103312401) is 1,1,1-trifluoro-6-methoxy-N,6-dimethyl-2-(trifluoromethyl)heptan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-6-methoxy-N,6-dimethyl-2-(trifluoromethyl)heptan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-6-methoxy-N,6-dimethyl-2-(trifluoromethyl)heptan-3-amine is CNC(CCC(C)(C)OC)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-6-methoxy-N,6-dimethyl-2-(trifluoromethyl)heptan-3-amine?
The InChIKey is ZXJFYPVCIRWXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F6NO/c1-9(2,19-4)6-5-7(18-3)8(10(12,13)14)11(15,16)17/h7-8,18H,5-6H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-6-methoxy-N,6-dimethyl-2-(trifluoromethyl)heptan-3-amine?
1,1,1-trifluoro-6-methoxy-N,6-dimethyl-2-(trifluoromethyl)heptan-3-amine has a molecular weight of 295.27 g/mol, XLogP of 3.52, 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-6-methoxy-N,6-dimethyl-2-(trifluoromethyl)heptan-3-amine is sourced from PubChem (CID 103312401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).