(3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine

C11H20F3NO — CID 169190965

IUPAC(3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine
SMILESCC(CCCC(F)(F)F)N[C@H]1CCCOC1
InChIInChI=1S/C11H20F3NO/c1-9(4-2-6-11(12,13)14)15-10-5-3-7-16-8-10/h9-10,15H,2-8H2,1H3/t9?,10-/m0/s1
InChIKeySNHLCSGHETZZIT-AXDSSHIGSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds5

About (3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine

(3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine (PubChem CID 169190965) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is (3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine.

Molecular Properties

Compound Name(3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine
PubChem CID169190965
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name(3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine
SMILESCC(CCCC(F)(F)F)N[C@H]1CCCOC1
InChIInChI=1S/C11H20F3NO/c1-9(4-2-6-11(12,13)14)15-10-5-3-7-16-8-10/h9-10,15H,2-8H2,1H3/t9?,10-/m0/s1
InChIKeySNHLCSGHETZZIT-AXDSSHIGSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine?
The IUPAC name of (3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine (CID 169190965) is (3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine.
What is the SMILES notation for (3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine?
The canonical SMILES for (3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine is CC(CCCC(F)(F)F)N[C@H]1CCCOC1.
What is the InChIKey of (3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine?
The InChIKey is SNHLCSGHETZZIT-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9(4-2-6-11(12,13)14)15-10-5-3-7-16-8-10/h9-10,15H,2-8H2,1H3/t9?,10-/m0/s1.
What are the key properties of (3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine?
(3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine has a molecular weight of 239.28 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine is sourced from PubChem (CID 169190965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).