[(3S,5S)-3-(difluoromethoxy)-5-methoxyhexyl]-methylazanide

C9H18F2NO2- — CID 177009824

IUPAC[(3S,5S)-3-(difluoromethoxy)-5-methoxyhexyl]-methylazanide
SMILESC[N-]CC[C@@H](C[C@H](C)OC)OC(F)F
InChIInChI=1S/C9H18F2NO2/c1-7(13-3)6-8(4-5-12-2)14-9(10)11/h7-9H,4-6H2,1-3H3/q-1/t7-,8-/m0/s1
InChIKeyIYOIQCCIVAGTPD-YUMQZZPRSA-N
MW210.24 g/mol
LogP2.41
Rot. Bonds8

About [(3S,5S)-3-(difluoromethoxy)-5-methoxyhexyl]-methylazanide

[(3S,5S)-3-(difluoromethoxy)-5-methoxyhexyl]-methylazanide (PubChem CID 177009824) has the molecular formula C9H18F2NO2- and a molecular weight of 210.24 g/mol. Its IUPAC name is [(3S,5S)-3-(difluoromethoxy)-5-methoxyhexyl]-methylazanide.

Molecular Properties

Compound Name[(3S,5S)-3-(difluoromethoxy)-5-methoxyhexyl]-methylazanide
PubChem CID177009824
Molecular FormulaC9H18F2NO2-
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name[(3S,5S)-3-(difluoromethoxy)-5-methoxyhexyl]-methylazanide
SMILESC[N-]CC[C@@H](C[C@H](C)OC)OC(F)F
InChIInChI=1S/C9H18F2NO2/c1-7(13-3)6-8(4-5-12-2)14-9(10)11/h7-9H,4-6H2,1-3H3/q-1/t7-,8-/m0/s1
InChIKeyIYOIQCCIVAGTPD-YUMQZZPRSA-N
XLogP2.41
TPSA32.56 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S,5S)-3-(difluoromethoxy)-5-methoxyhexyl]-methyl-methylideneazanium
CID 177009171
(3S,5S)-3-(difluoromethoxy)-5-methoxy-N-methylhexan-1-amine
CID 177009454
(3S,5S)-3-(difluoromethoxy)-N-methyl-5-propan-2-yloxyhexan-1-amine
CID 177009862
[(3S,5S)-3-(difluoromethoxy)-5-propan-2-yloxyhexyl]-methylazanide
CID 177010052
[(5S)-3-(difluoromethoxy)-5-methoxyhexyl]-methylazanide
CID 177010158
(3S)-3-(difluoromethoxy)-N-methyl-5-propan-2-yloxyhexan-1-amine
CID 177010189
(5S)-3-(difluoromethoxy)-5-methoxy-N-methylhexan-1-amine
CID 177010034
[(3S,5S)-3-methoxy-5-propan-2-yloxyhexyl]-methylazanide
CID 177009541
[(3S,5S)-3,5-di(propan-2-yloxy)hexyl]-methylazanide
CID 177009675
(5S)-3-(difluoromethoxy)-5-methoxy-N-methylhexan-1-amine;ethane
CID 177010033

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3-(difluoromethoxy)-5-methoxyhexyl]-methylazanide?
The IUPAC name of [(3S,5S)-3-(difluoromethoxy)-5-methoxyhexyl]-methylazanide (CID 177009824) is [(3S,5S)-3-(difluoromethoxy)-5-methoxyhexyl]-methylazanide.
What is the SMILES notation for [(3S,5S)-3-(difluoromethoxy)-5-methoxyhexyl]-methylazanide?
The canonical SMILES for [(3S,5S)-3-(difluoromethoxy)-5-methoxyhexyl]-methylazanide is C[N-]CC[C@@H](C[C@H](C)OC)OC(F)F.
What is the InChIKey of [(3S,5S)-3-(difluoromethoxy)-5-methoxyhexyl]-methylazanide?
The InChIKey is IYOIQCCIVAGTPD-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H18F2NO2/c1-7(13-3)6-8(4-5-12-2)14-9(10)11/h7-9H,4-6H2,1-3H3/q-1/t7-,8-/m0/s1.
What are the key properties of [(3S,5S)-3-(difluoromethoxy)-5-methoxyhexyl]-methylazanide?
[(3S,5S)-3-(difluoromethoxy)-5-methoxyhexyl]-methylazanide has a molecular weight of 210.24 g/mol, XLogP of 2.41, 8 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-methoxyhexyl]-methylazanide is sourced from PubChem (CID 177009824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).