1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-amine

C11H23F2NO2 — CID 103149124

IUPAC1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-amine
SMILESCOC(C)(C)CCC(N)CCOCC(F)F
InChIInChI=1S/C11H23F2NO2/c1-11(2,15-3)6-4-9(14)5-7-16-8-10(12)13/h9-10H,4-8,14H2,1-3H3
InChIKeyZUNGIMFXVPMKDR-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.19
Rot. Bonds9

About 1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-amine

1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-amine (PubChem CID 103149124) has the molecular formula C11H23F2NO2 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-amine
PubChem CID103149124
Molecular FormulaC11H23F2NO2
Molecular Weight239.31 g/mol
Exact Mass239.17
IUPAC Name1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-amine
SMILESCOC(C)(C)CCC(N)CCOCC(F)F
InChIInChI=1S/C11H23F2NO2/c1-11(2,15-3)6-4-9(14)5-7-16-8-10(12)13/h9-10H,4-8,14H2,1-3H3
InChIKeyZUNGIMFXVPMKDR-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine
CID 134353026
2-Methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 61491063
6-Methyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 62599900
2-Methyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64503225
2,2-Dimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64505363
1,1,1-Trifluoro-6-methoxy-6-methylheptan-4-amine
CID 103027354
8,8,8-Trifluoro-2-methoxy-2-methyloctan-4-amine
CID 103028746
1,1,1-Trifluoro-6-methoxy-6-methylheptan-3-amine
CID 103032115
1,1,1-Trifluoro-7-methoxy-7-methyloctan-4-amine
CID 103032393
1-(2,2,5,5-Tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147952
5-Methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103147984
6,6-Dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148022

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-amine (CID 103149124) is 1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-amine is COC(C)(C)CCC(N)CCOCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-amine?
The InChIKey is ZUNGIMFXVPMKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO2/c1-11(2,15-3)6-4-9(14)5-7-16-8-10(12)13/h9-10H,4-8,14H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-amine?
1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-amine has a molecular weight of 239.31 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-amine is sourced from PubChem (CID 103149124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).