(3S,5S)-3-(difluoromethoxy)-N-methyl-5-propan-2-yloxyhexan-1-amine

C11H23F2NO2 — CID 177009862

IUPAC(3S,5S)-3-(difluoromethoxy)-N-methyl-5-propan-2-yloxyhexan-1-amine
SMILESCNCC[C@@H](C[C@H](C)OC(C)C)OC(F)F
InChIInChI=1S/C11H23F2NO2/c1-8(2)15-9(3)7-10(5-6-14-4)16-11(12)13/h8-11,14H,5-7H2,1-4H3/t9-,10-/m0/s1
InChIKeyYBNXAIXBXKHAHW-UWVGGRQHSA-N
MW239.31 g/mol
LogP2.41
Rot. Bonds9

About (3S,5S)-3-(difluoromethoxy)-N-methyl-5-propan-2-yloxyhexan-1-amine

(3S,5S)-3-(difluoromethoxy)-N-methyl-5-propan-2-yloxyhexan-1-amine (PubChem CID 177009862) has the molecular formula C11H23F2NO2 and a molecular weight of 239.31 g/mol. Its IUPAC name is (3S,5S)-3-(difluoromethoxy)-N-methyl-5-propan-2-yloxyhexan-1-amine.

Molecular Properties

Compound Name(3S,5S)-3-(difluoromethoxy)-N-methyl-5-propan-2-yloxyhexan-1-amine
PubChem CID177009862
Molecular FormulaC11H23F2NO2
Molecular Weight239.31 g/mol
Exact Mass239.17
IUPAC Name(3S,5S)-3-(difluoromethoxy)-N-methyl-5-propan-2-yloxyhexan-1-amine
SMILESCNCC[C@@H](C[C@H](C)OC(C)C)OC(F)F
InChIInChI=1S/C11H23F2NO2/c1-8(2)15-9(3)7-10(5-6-14-4)16-11(12)13/h8-11,14H,5-7H2,1-4H3/t9-,10-/m0/s1
InChIKeyYBNXAIXBXKHAHW-UWVGGRQHSA-N
XLogP2.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-(difluoromethoxy)-N-methyl-5-propan-2-yloxyhexan-1-amine?
The IUPAC name of (3S,5S)-3-(difluoromethoxy)-N-methyl-5-propan-2-yloxyhexan-1-amine (CID 177009862) is (3S,5S)-3-(difluoromethoxy)-N-methyl-5-propan-2-yloxyhexan-1-amine.
What is the SMILES notation for (3S,5S)-3-(difluoromethoxy)-N-methyl-5-propan-2-yloxyhexan-1-amine?
The canonical SMILES for (3S,5S)-3-(difluoromethoxy)-N-methyl-5-propan-2-yloxyhexan-1-amine is CNCC[C@@H](C[C@H](C)OC(C)C)OC(F)F.
What is the InChIKey of (3S,5S)-3-(difluoromethoxy)-N-methyl-5-propan-2-yloxyhexan-1-amine?
The InChIKey is YBNXAIXBXKHAHW-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H23F2NO2/c1-8(2)15-9(3)7-10(5-6-14-4)16-11(12)13/h8-11,14H,5-7H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of (3S,5S)-3-(difluoromethoxy)-N-methyl-5-propan-2-yloxyhexan-1-amine?
(3S,5S)-3-(difluoromethoxy)-N-methyl-5-propan-2-yloxyhexan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-(difluoromethoxy)-N-methyl-5-propan-2-yloxyhexan-1-amine is sourced from PubChem (CID 177009862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).