6,6,6-trifluoro-1-methoxyhexan-3-amine

C7H14F3NO — CID 64567012

IUPAC6,6,6-trifluoro-1-methoxyhexan-3-amine
SMILESCOCCC(N)CCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-12-5-3-6(11)2-4-7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyOFMHQZKSRJWCBU-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.69
Rot. Bonds5

About 6,6,6-trifluoro-1-methoxyhexan-3-amine

6,6,6-trifluoro-1-methoxyhexan-3-amine (PubChem CID 64567012) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-methoxyhexan-3-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-1-methoxyhexan-3-amine
PubChem CID64567012
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name6,6,6-trifluoro-1-methoxyhexan-3-amine
SMILESCOCCC(N)CCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-12-5-3-6(11)2-4-7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyOFMHQZKSRJWCBU-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-methoxyhexan-3-amine?
The IUPAC name of 6,6,6-trifluoro-1-methoxyhexan-3-amine (CID 64567012) is 6,6,6-trifluoro-1-methoxyhexan-3-amine.
What is the SMILES notation for 6,6,6-trifluoro-1-methoxyhexan-3-amine?
The canonical SMILES for 6,6,6-trifluoro-1-methoxyhexan-3-amine is COCCC(N)CCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-1-methoxyhexan-3-amine?
The InChIKey is OFMHQZKSRJWCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-12-5-3-6(11)2-4-7(8,9)10/h6H,2-5,11H2,1H3.
What are the key properties of 6,6,6-trifluoro-1-methoxyhexan-3-amine?
6,6,6-trifluoro-1-methoxyhexan-3-amine has a molecular weight of 185.19 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-methoxyhexan-3-amine is sourced from PubChem (CID 64567012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).