[(3S,5S)-3-(difluoromethoxy)-5-propan-2-yloxyhexyl]-methylazanide

C11H22F2NO2- — CID 177010052

IUPAC[(3S,5S)-3-(difluoromethoxy)-5-propan-2-yloxyhexyl]-methylazanide
SMILESC[N-]CC[C@@H](C[C@H](C)OC(C)C)OC(F)F
InChIInChI=1S/C11H22F2NO2/c1-8(2)15-9(3)7-10(5-6-14-4)16-11(12)13/h8-11H,5-7H2,1-4H3/q-1/t9-,10-/m0/s1
InChIKeyFFXVPRDMIZSFNR-UWVGGRQHSA-N
MW238.30 g/mol
LogP3.19
Rot. Bonds9

About [(3S,5S)-3-(difluoromethoxy)-5-propan-2-yloxyhexyl]-methylazanide

[(3S,5S)-3-(difluoromethoxy)-5-propan-2-yloxyhexyl]-methylazanide (PubChem CID 177010052) has the molecular formula C11H22F2NO2- and a molecular weight of 238.30 g/mol. Its IUPAC name is [(3S,5S)-3-(difluoromethoxy)-5-propan-2-yloxyhexyl]-methylazanide.

Molecular Properties

Compound Name[(3S,5S)-3-(difluoromethoxy)-5-propan-2-yloxyhexyl]-methylazanide
PubChem CID177010052
Molecular FormulaC11H22F2NO2-
Molecular Weight238.30 g/mol
Exact Mass238.16
IUPAC Name[(3S,5S)-3-(difluoromethoxy)-5-propan-2-yloxyhexyl]-methylazanide
SMILESC[N-]CC[C@@H](C[C@H](C)OC(C)C)OC(F)F
InChIInChI=1S/C11H22F2NO2/c1-8(2)15-9(3)7-10(5-6-14-4)16-11(12)13/h8-11H,5-7H2,1-4H3/q-1/t9-,10-/m0/s1
InChIKeyFFXVPRDMIZSFNR-UWVGGRQHSA-N
XLogP3.19
TPSA32.56 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(3S,5S)-3-(difluoromethoxy)-5-propan-2-yloxyhexyl]-methylazanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3-(difluoromethoxy)-5-propan-2-yloxyhexyl]-methylazanide?
The IUPAC name of [(3S,5S)-3-(difluoromethoxy)-5-propan-2-yloxyhexyl]-methylazanide (CID 177010052) is [(3S,5S)-3-(difluoromethoxy)-5-propan-2-yloxyhexyl]-methylazanide.
What is the SMILES notation for [(3S,5S)-3-(difluoromethoxy)-5-propan-2-yloxyhexyl]-methylazanide?
The canonical SMILES for [(3S,5S)-3-(difluoromethoxy)-5-propan-2-yloxyhexyl]-methylazanide is C[N-]CC[C@@H](C[C@H](C)OC(C)C)OC(F)F.
What is the InChIKey of [(3S,5S)-3-(difluoromethoxy)-5-propan-2-yloxyhexyl]-methylazanide?
The InChIKey is FFXVPRDMIZSFNR-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H22F2NO2/c1-8(2)15-9(3)7-10(5-6-14-4)16-11(12)13/h8-11H,5-7H2,1-4H3/q-1/t9-,10-/m0/s1.
What are the key properties of [(3S,5S)-3-(difluoromethoxy)-5-propan-2-yloxyhexyl]-methylazanide?
[(3S,5S)-3-(difluoromethoxy)-5-propan-2-yloxyhexyl]-methylazanide has a molecular weight of 238.30 g/mol, XLogP of 3.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-3-(difluoromethoxy)-5-propan-2-yloxyhexyl]-methylazanide is sourced from PubChem (CID 177010052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).