1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine

C8H16F3NO — CID 103031627

IUPAC1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine
SMILESCOC(C)(C)CCC(N)C(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,13-3)5-4-6(12)8(9,10)11/h6H,4-5,12H2,1-3H3
InChIKeyVVXJZIZLAHRMEZ-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.08
Rot. Bonds4

About 1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine

1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine (PubChem CID 103031627) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine
PubChem CID103031627
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine
SMILESCOC(C)(C)CCC(N)C(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,13-3)5-4-6(12)8(9,10)11/h6H,4-5,12H2,1-3H3
InChIKeyVVXJZIZLAHRMEZ-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.08
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-5-methylhexan-2-amine?
The IUPAC name of 1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine (CID 103031627) is 1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine is COC(C)(C)CCC(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine?
The InChIKey is VVXJZIZLAHRMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(2,13-3)5-4-6(12)8(9,10)11/h6H,4-5,12H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine?
1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine has a molecular weight of 199.22 g/mol, XLogP of 2.08, 4 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-5-methylhexan-2-amine is sourced from PubChem (CID 103031627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).