(5S)-3-(difluoromethoxy)-5-methoxy-N-methylhexan-1-amine;ethane

C11H25F2NO2 — CID 177010033

IUPAC(5S)-3-(difluoromethoxy)-5-methoxy-N-methylhexan-1-amine;ethane
SMILESCC.CNCCC(C[C@H](C)OC)OC(F)F
InChIInChI=1S/C9H19F2NO2.C2H6/c1-7(13-3)6-8(4-5-12-2)14-9(10)11;1-2/h7-9,12H,4-6H2,1-3H3;1-2H3/t7-,8?;/m0./s1
InChIKeyBXCYJYNISJWCNS-JPPWUZRISA-N
MW241.32 g/mol
LogP2.65
Rot. Bonds8

About (5S)-3-(difluoromethoxy)-5-methoxy-N-methylhexan-1-amine;ethane

(5S)-3-(difluoromethoxy)-5-methoxy-N-methylhexan-1-amine;ethane (PubChem CID 177010033) has the molecular formula C11H25F2NO2 and a molecular weight of 241.32 g/mol. Its IUPAC name is (5S)-3-(difluoromethoxy)-5-methoxy-N-methylhexan-1-amine;ethane.

Molecular Properties

Compound Name(5S)-3-(difluoromethoxy)-5-methoxy-N-methylhexan-1-amine;ethane
PubChem CID177010033
Molecular FormulaC11H25F2NO2
Molecular Weight241.32 g/mol
Exact Mass241.19
IUPAC Name(5S)-3-(difluoromethoxy)-5-methoxy-N-methylhexan-1-amine;ethane
SMILESCC.CNCCC(C[C@H](C)OC)OC(F)F
InChIInChI=1S/C9H19F2NO2.C2H6/c1-7(13-3)6-8(4-5-12-2)14-9(10)11;1-2/h7-9,12H,4-6H2,1-3H3;1-2H3/t7-,8?;/m0./s1
InChIKeyBXCYJYNISJWCNS-JPPWUZRISA-N
XLogP2.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(difluoromethoxy)-5-methoxy-N-methylhexan-1-amine;ethane?
The IUPAC name of (5S)-3-(difluoromethoxy)-5-methoxy-N-methylhexan-1-amine;ethane (CID 177010033) is (5S)-3-(difluoromethoxy)-5-methoxy-N-methylhexan-1-amine;ethane.
What is the SMILES notation for (5S)-3-(difluoromethoxy)-5-methoxy-N-methylhexan-1-amine;ethane?
The canonical SMILES for (5S)-3-(difluoromethoxy)-5-methoxy-N-methylhexan-1-amine;ethane is CC.CNCCC(C[C@H](C)OC)OC(F)F.
What is the InChIKey of (5S)-3-(difluoromethoxy)-5-methoxy-N-methylhexan-1-amine;ethane?
The InChIKey is BXCYJYNISJWCNS-JPPWUZRISA-N. The full InChI is InChI=1S/C9H19F2NO2.C2H6/c1-7(13-3)6-8(4-5-12-2)14-9(10)11;1-2/h7-9,12H,4-6H2,1-3H3;1-2H3/t7-,8?;/m0./s1.
What are the key properties of (5S)-3-(difluoromethoxy)-5-methoxy-N-methylhexan-1-amine;ethane?
(5S)-3-(difluoromethoxy)-5-methoxy-N-methylhexan-1-amine;ethane has a molecular weight of 241.32 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(difluoromethoxy)-5-methoxy-N-methylhexan-1-amine;ethane is sourced from PubChem (CID 177010033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).