6,6,6-trifluoro-N-methylhexan-3-amine

C7H14F3N — CID 64566390

IUPAC6,6,6-trifluoro-N-methylhexan-3-amine
SMILESCCC(CCC(F)(F)F)NC
InChIInChI=1S/C7H14F3N/c1-3-6(11-2)4-5-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyYGYLWQSIOJKSKZ-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.33
Rot. Bonds4

About 6,6,6-trifluoro-N-methylhexan-3-amine

6,6,6-trifluoro-N-methylhexan-3-amine (PubChem CID 64566390) has the molecular formula C7H14F3N and a molecular weight of 169.19 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-methylhexan-3-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-methylhexan-3-amine
PubChem CID64566390
Molecular FormulaC7H14F3N
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC Name6,6,6-trifluoro-N-methylhexan-3-amine
SMILESCCC(CCC(F)(F)F)NC
InChIInChI=1S/C7H14F3N/c1-3-6(11-2)4-5-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyYGYLWQSIOJKSKZ-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-methylhexan-3-amine?
The IUPAC name of 6,6,6-trifluoro-N-methylhexan-3-amine (CID 64566390) is 6,6,6-trifluoro-N-methylhexan-3-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-methylhexan-3-amine?
The canonical SMILES for 6,6,6-trifluoro-N-methylhexan-3-amine is CCC(CCC(F)(F)F)NC.
What is the InChIKey of 6,6,6-trifluoro-N-methylhexan-3-amine?
The InChIKey is YGYLWQSIOJKSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N/c1-3-6(11-2)4-5-7(8,9)10/h6,11H,3-5H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-N-methylhexan-3-amine?
6,6,6-trifluoro-N-methylhexan-3-amine has a molecular weight of 169.19 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-methylhexan-3-amine is sourced from PubChem (CID 64566390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).